data_2fki_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 2fki _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 ' 1' ' ' MET . . . . . 0.593 ' HE1' ' HB2' ' A' ' 6' ' ' LEU . 5.2 ppp? . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p -96.25 130.11 43.41 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.242 0.544 . . . . 0.0 111.313 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.526 HG13 ' HB3' ' A' ' 46' ' ' PRO . 44.4 mm -70.68 -22.12 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.868 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.6 m -51.65 -47.8 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.022 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.96 -35.4 50.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.342 . . . . 0.0 110.81 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.593 ' HB2' ' HE1' ' A' ' 1' ' ' MET . 3.0 tm? -60.89 -43.47 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.189 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -62.8 -45.99 90.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.288 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.8 -37.32 83.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.244 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -63.94 -32.63 74.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.853 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.3 m -68.73 -26.88 65.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.446 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.9 mtp -80.1 -10.06 59.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.572 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.15 -0.88 57.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.399 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -90.38 117.3 67.91 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.85 113.18 1.88 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.884 2.389 . . . . 0.0 113.275 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.39 -10.07 17.12 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.54 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.69 127.12 39.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.078 0.466 . . . . 0.0 111.542 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -124.3 156.13 37.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -89.96 120.97 31.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.764 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -112.19 104.67 12.88 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -91.98 125.34 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.281 0.562 . . . . 0.0 110.98 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.29 111.11 22.45 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -77.77 79.01 4.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.343 0.592 . . . . 0.0 111.772 -171.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -136.88 -69.11 0.47 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 171.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -119.27 21.05 12.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.126 171.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 62.19 40.3 11.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.527 -1.215 . . . . 0.0 112.547 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.62 120.93 14.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 171.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.3 m -100.68 117.57 35.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.135 0.493 . . . . 0.0 111.038 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -94.08 121.95 36.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.4 mt -97.6 107.98 20.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.665 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 20.3 pttp -153.63 168.43 26.24 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.526 -174.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 HG22 HD22 ' A' ' 107' ' ' LEU . 27.5 m -88.96 -146.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.544 176.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -49.21 -51.94 29.91 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -154.23 18.4 0.49 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.141 0.496 . . . . 0.0 111.379 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.448 ' HB ' HG21 ' A' ' 31' ' ' VAL . 54.2 t -108.26 106.55 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.836 0.351 . . . . 0.0 110.447 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.665 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 59.0 tp -94.83 121.08 36.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.512 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.5 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 46.5 p90 -110.83 -29.27 8.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.494 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.6 144.08 19.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.341 . . . . 0.0 111.123 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -140.27 136.19 33.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.635 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -102.36 134.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.004 0.431 . . . . 0.0 110.721 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.815 ' HB2' ' HZ3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -150.17 119.76 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -178.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.53 ' OE2' ' HA ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -83.08 114.47 21.32 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.299 0.571 . . . . 0.0 111.127 -179.402 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.8 p -117.5 143.43 28.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 42' ' ' VAL . 51.4 mt-10 66.27 15.52 10.12 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -171.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.9 t30 67.6 11.49 8.4 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.167 -172.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HD2' ' OD1' ' A' ' 84' ' ' ASP . 48.1 mtm180 -106.8 133.54 20.22 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.929 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.584 ' HB2' ' HB2' ' A' ' 83' ' ' LEU . 48.1 Cg_exo -57.15 134.52 64.74 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.806 2.337 . . . . 0.0 112.621 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.94 127.56 9.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.453 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.93 136.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 -175.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.6 t -111.13 115.83 30.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.933 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 99' ' ' SER . 6.7 mp -99.0 155.96 17.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.635 178.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -78.42 167.73 20.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -43.01 111.77 0.3 Allowed 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.629 0.58 . . . . 0.0 112.073 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.626 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . 39.3 t -129.66 139.04 34.49 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.074 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.459 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 76.9 Cg_exo -50.28 -63.92 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.091 2.528 . . . . 0.0 112.851 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.74 -34.32 78.04 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.626 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 4.4 mm? -65.76 -41.55 91.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.692 0.282 . . . . 0.0 110.57 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.57 68.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.394 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 54' ' ' PRO . 26.0 mm-40 -61.14 -41.36 96.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.066 177.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.2 tp -52.75 -37.65 59.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.896 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.8 tp -71.15 -34.01 70.6 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.541 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -75.58 -49.56 18.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.917 0.389 . . . . 0.0 110.999 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.55 -51.63 11.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.958 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -108.0 154.57 21.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.991 0.424 . . . . 0.0 110.299 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -139.62 158.49 44.03 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.796 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 m 62.77 -163.87 0.26 Allowed 'General case' 0 CA--C 1.535 0.404 0 O-C-N 123.689 0.618 . . . . 0.0 111.796 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t70 72.45 -81.3 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.455 0.702 . . . . 0.0 111.949 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.017 0.437 . . . . 0.0 110.115 179.666 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -94.95 -28.09 15.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.33 -66.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.323 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.561 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 39.6 t-20 -166.06 120.26 1.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -86.3 -26.87 24.7 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -169.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.9 -30.44 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.807 -176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -93.51 -21.85 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.01 0.434 . . . . 0.0 110.776 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.561 ' HD1' ' HB3' ' A' ' 74' ' ' ASN . 86.7 m95 -131.2 168.66 17.11 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -136.87 125.76 24.18 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.9 m -106.5 114.55 28.73 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.168 0.509 . . . . 0.0 110.733 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.3 t -98.13 115.01 37.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.8 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -72.01 99.6 2.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.939 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . 89.1 mt -69.0 -40.0 79.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.61 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.459 ' OD1' ' HD2' ' A' ' 45' ' ' ARG . 15.9 t70 68.42 -57.26 0.49 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.095 0.872 . . . . 0.0 112.983 171.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.17 -33.95 2.38 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.9 t -85.73 -3.44 58.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.61 -0.295 . . . . 0.0 111.341 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.82 136.56 54.74 Favored Pre-proline 0 C--O 1.238 0.463 0 CA-C-O 120.732 0.301 . . . . 0.0 110.479 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.65 142.19 63.22 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.989 2.459 . . . . 0.0 112.675 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.446 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 6.7 p-10 -65.19 -30.18 71.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.852 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -51.12 -48.38 61.77 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.652 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.409 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 36.2 tt0 -73.27 -40.38 64.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.939 -177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.462 ' O ' HG22 ' A' ' 96' ' ' VAL . 63.3 mt -61.6 -45.09 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.022 -174.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' A' ' 89' ' ' ASP . 29.7 m-85 -58.41 -41.21 84.47 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.944 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.02 -37.92 87.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.729 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 93.9 mt -65.25 -39.23 92.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 92' ' ' ILE . 99.1 t -60.72 -52.41 61.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.788 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.458 ' HA ' ' HB3' ' A' ' 100' ' ' TYR . 2.1 m-20 -66.76 -28.98 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.54 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -59.42 -50.58 73.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 0.0 110.503 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.552 ' HB3' HD21 ' A' ' 50' ' ' LEU . 5.3 p -71.56 -34.49 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.458 ' HB3' ' HA ' ' A' ' 97' ' ' ASP . 39.8 t80 -63.8 -43.2 97.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.731 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -44.59 90.59 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 22.6 mt-30 -58.36 -44.4 88.8 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -57.18 -44.66 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.81 -38.66 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -68.81 -29.52 67.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 98.7 mt -84.46 -5.23 59.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.594 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 87.9 mt -86.71 137.88 33.65 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.659 0.266 . . . . 0.0 110.789 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.53 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 26.4 Cg_exo -64.03 175.02 3.42 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.94 2.427 . . . . 0.0 112.173 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 8.2 tp10 -54.85 -51.49 65.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.102 -175.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -48.8 -49.47 38.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.749 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.53 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 4.3 mptp? -69.34 -47.14 65.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.358 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.548 ' O ' HG22 ' A' ' 116' ' ' VAL . 79.2 mtp180 -59.76 -41.39 90.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.696 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 75.8 mmtt -56.65 -34.31 67.2 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.739 0.304 . . . . 0.0 111.36 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.41 -47.65 59.81 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.24 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.85 -26.9 67.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.678 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 112' ' ' ARG . 92.3 t -66.16 -28.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.169 0.509 . . . . 0.0 110.821 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.478 ' HA ' ' OE1' ' A' ' 117' ' ' GLN . 11.3 mm-40 -75.35 -28.9 59.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.543 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.814 -0.613 . . . . 0.0 111.209 -175.638 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.459 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 58.0 ttp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.906 0.384 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.38 -176.51 3.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.809 177.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.496 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 82.2 mt -57.51 -44.84 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -173.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -62.91 -42.49 99.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.519 0.199 . . . . 0.0 111.239 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.459 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 2.1 mp0 -66.27 -36.77 83.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.528 HD11 HG22 ' A' ' 96' ' ' VAL . 43.2 tp -63.59 -45.09 91.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.031 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 87.8 mt -61.66 -42.96 99.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.316 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.66 -45.16 92.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.48 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.41 -42.42 99.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.865 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.9 m -71.11 -13.61 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.353 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.552 ' HA ' ' HE1' ' A' ' 11' ' ' MET . 3.8 mmt -85.17 -36.97 20.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 110.058 175.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' O ' ' HD3' ' A' ' 14' ' ' PRO . . . -75.26 -11.27 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.092 175.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -99.41 101.31 12.68 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.759 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 12' ' ' ALA . 37.7 Cg_exo -60.39 156.84 38.87 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.244 2.629 . . . . 0.0 113.087 -174.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.35 -36.04 3.94 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.851 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.27 126.4 32.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.241 0.543 . . . . 0.0 110.896 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -119.77 138.76 53.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.159 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -106.03 125.45 51.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -175.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 m -115.27 118.92 34.63 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.065 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -138.08 135.37 45.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.408 0.623 . . . . 0.0 111.671 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -114.78 128.78 56.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.712 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -79.95 67.83 5.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.638 0.732 . . . . 0.0 110.648 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -105.34 -69.05 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -117.01 -4.39 11.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 166.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt 70.6 96.93 0.07 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.767 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . . . -127.69 101.35 6.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.748 172.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.527 ' HB ' HG23 ' A' ' 39' ' ' VAL . 20.8 m -81.18 116.95 21.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 110.285 -175.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -99.28 121.14 40.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.467 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mt -99.58 111.43 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -132.84 169.51 16.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.809 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 HG12 ' OE1' ' A' ' 32' ' ' GLU . 1.9 t -83.75 -135.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 170.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.46 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -54.43 -62.54 1.59 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.051 0.453 . . . . 0.0 110.098 172.716 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -137.94 3.61 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.573 0.701 . . . . 0.0 110.219 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.7 t -86.74 101.71 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.738 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.5 tp -84.76 123.23 30.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.86 176.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -112.3 -33.93 6.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.712 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.72 156.33 27.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.275 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -146.85 141.83 27.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.959 0.409 . . . . 0.0 111.24 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.527 HG23 ' HB ' ' A' ' 27' ' ' THR . 4.1 m -99.28 109.9 25.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.872 175.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 26' ' ' ALA . 33.1 pttt -103.5 123.74 47.45 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.087 -175.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.53 110.64 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 p -122.96 113.6 38.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.696 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 62.85 27.19 15.92 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t30 69.35 -0.69 2.45 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.602 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -95.13 133.68 25.82 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.915 0.388 . . . . 0.0 110.239 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.635 ' HG2' ' HB2' ' A' ' 83' ' ' LEU . 38.2 Cg_endo -66.4 117.07 4.42 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.179 2.586 . . . . 0.0 113.685 -173.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 40' ' ' LYS . . . -125.63 128.66 48.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.543 172.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 95' ' ' LEU . 13.4 p -115.57 147.47 18.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.929 0.395 . . . . 0.0 110.498 -176.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.6 ' HA ' ' O ' ' A' ' 79' ' ' SER . 71.1 m -128.29 124.88 37.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' N ' HD11 ' A' ' 50' ' ' LEU . 5.0 mp -106.27 146.66 30.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.597 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -59.33 -49.23 78.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.924 0.392 . . . . 0.0 110.442 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.3 t -173.9 143.01 0.92 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.281 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.609 ' HB2' ' HB2' ' A' ' 56' ' ' LEU . 54.3 m -157.29 135.47 7.43 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.981 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.47 -57.48 0.87 Allowed 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.921 2.414 . . . . 0.0 113.21 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.63 -34.57 75.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.543 0.211 . . . . 0.0 110.998 -176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.609 ' HB2' ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -63.77 -39.86 95.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.698 0.285 . . . . 0.0 110.679 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.514 ' O ' ' HD2' ' A' ' 61' ' ' ARG . . . -68.47 -37.3 80.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.226 176.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.79 -42.27 99.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.421 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -52.85 -34.84 56.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 1.106 ' HA ' HG12 ' A' ' 67' ' ' VAL . 4.2 tt -64.11 -42.9 96.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.313 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.514 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 1.7 mpt_? -75.6 -36.59 60.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.833 0.349 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -77.39 -63.29 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.436 ' O ' HG11 ' A' ' 67' ' ' VAL . 24.2 mm-40 -118.98 105.74 11.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.564 0.221 . . . . 0.0 111.466 -171.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -79.77 8.15 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.4 m -110.77 -20.87 12.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.059 0.457 . . . . 0.0 110.901 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.86 -24.9 24.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.055 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 1.106 HG12 ' HA ' ' A' ' 60' ' ' LEU . 14.7 p . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.264 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.854 0.359 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -67.1 -19.31 65.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.25 0.548 . . . . 0.0 109.6 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.1 mt -140.81 -63.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.628 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -156.36 123.99 5.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -85.32 -28.68 25.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.178 -172.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.96 -36.08 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -169.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -88.07 -27.99 21.62 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.19 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -106.03 164.53 11.9 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' A' ' 49' ' ' SER . 14.8 m -125.44 126.83 45.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.031 0.443 . . . . 0.0 109.991 177.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -109.26 114.97 29.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.401 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.444 ' HB ' ' CG1' ' A' ' 48' ' ' VAL . 60.8 t -103.88 115.95 46.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.031 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -86.35 113.46 22.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.116 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.635 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 82.0 mt -81.16 70.22 7.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.793 0.806 . . . . 0.0 109.257 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -145.06 96.7 2.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.463 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.83 -53.51 4.69 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.137 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.3 m -81.97 140.53 33.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.425 0.155 . . . . 0.0 111.314 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.495 HD22 ' HG3' ' A' ' 91' ' ' GLN . 80.0 mt 71.05 128.93 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.371 0 O-C-N 124.122 0.889 . . . . 0.0 112.521 176.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -83.9 -177.86 3.29 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.046 2.498 . . . . 0.0 112.6 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -58.96 -37.92 77.89 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.169 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -53.92 -40.76 67.0 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.726 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.61 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 27.0 mm-40 -67.31 -35.83 80.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 95' ' ' LEU . 36.6 mt -62.67 -39.38 84.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 -177.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -60.33 -46.2 90.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.095 0.474 . . . . 0.0 110.091 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -68.56 -33.21 73.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.031 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.664 HD12 HG12 ' A' ' 48' ' ' VAL . 96.3 mt -54.48 -47.8 72.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.137 0.494 . . . . 0.0 110.902 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.528 HG22 HD11 ' A' ' 6' ' ' LEU . 89.5 t -75.92 -44.39 38.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.695 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -60.73 -52.61 64.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.671 -175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.85 95.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.745 0.307 . . . . 0.0 111.244 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.702 ' HA ' HE21 ' A' ' 102' ' ' GLN . 31.4 m -63.67 -45.01 92.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.444 ' O ' HG22 ' A' ' 104' ' ' VAL . 76.3 t80 -64.79 -44.35 90.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.576 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -61.96 -49.5 75.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.473 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.702 HE21 ' HA ' ' A' ' 99' ' ' SER . 29.1 pt20 -63.1 -32.72 74.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.054 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -67.35 -38.51 84.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.45 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 100' ' ' TYR . 97.5 t -66.18 -35.86 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.84 -24.08 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.853 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 94.8 mt -87.69 -7.61 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.788 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 92.4 mt -82.43 149.91 62.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.644 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.41 163.75 22.71 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.966 2.444 . . . . 0.0 112.381 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 5.0 tp10 -52.53 -47.73 66.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.944 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.524 ' HA ' ' HE2' ' A' ' 113' ' ' LYS . 34.3 tt0 -51.63 -50.31 60.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.017 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.7 -44.21 82.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.547 -174.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 116' ' ' VAL . 30.0 mtm180 -62.89 -41.13 99.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.256 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 110' ' ' GLU . 46.8 mtmt -61.37 -33.61 73.94 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.782 0.325 . . . . 0.0 110.993 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 71.4 mt -71.59 -42.39 67.8 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.778 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.443 HD23 HD11 ' A' ' 118' ' ' LEU . 98.6 mt -62.13 -28.5 69.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.584 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 112' ' ' ARG . 85.7 t -70.05 -35.3 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 0.0 110.692 177.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -75.19 -28.52 60.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.478 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 92.3 mt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.205 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.566 ' HE2' ' HB2' ' A' ' 6' ' ' LEU . 3.7 tmm? . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.42 159.93 14.99 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.138 -175.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.448 HD12 HD12 ' A' ' 83' ' ' LEU . 48.8 mm -54.86 -40.89 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.32 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -35.49 73.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.179 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -77.2 -36.3 54.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.016 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.566 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 3.0 tm? -61.91 -41.1 97.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.582 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 91.1 mt -59.42 -39.18 82.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.951 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -73.01 -38.65 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.461 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -58.83 -37.35 76.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.073 0.464 . . . . 0.0 110.983 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.5 m -68.49 -18.9 64.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.315 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.436 ' HE1' ' HG3' ' A' ' 18' ' ' GLN . 23.2 mmt -77.86 -5.82 52.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.984 0.421 . . . . 0.0 110.816 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.18 -10.03 37.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.188 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 75.6 mmtt -95.88 122.12 59.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.018 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD2' ' OH ' ' A' ' 100' ' ' TYR . 28.1 Cg_exo -62.07 128.1 23.12 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.463 2.109 . . . . 0.0 112.378 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.83 -18.34 56.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.999 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.92 119.66 25.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 110.899 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -131.55 145.89 51.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.186 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HG3' ' HE1' ' A' ' 11' ' ' MET . 79.2 mt-30 -90.75 122.17 33.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.187 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -136.49 137.54 40.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.83 109.34 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.846 0.831 . . . . 0.0 109.808 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -101.08 133.83 45.0 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.898 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -52.19 114.51 1.36 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.795 0.684 . . . . 0.0 110.138 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -168.44 -103.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.216 -170.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.589 ' HZ2' ' HB3' ' A' ' 72' ' ' HIS . 34.0 m0 -116.66 21.09 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 170.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 58.09 82.93 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.164 -163.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -133.64 148.52 51.53 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.279 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.3 m -79.63 116.6 19.92 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.15 0.5 . . . . 0.0 109.868 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.496 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 79.6 mt-30 -117.72 114.02 22.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.947 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.8 mt -93.07 108.32 20.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.297 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.59 154.11 51.13 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.579 -172.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 32' ' ' GLU . 6.2 t -86.13 174.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 169.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' HG3' ' HD3' ' A' ' 111' ' ' LYS . 10.7 mm-40 -26.78 -52.52 0.06 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -134.67 3.58 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.279 0.562 . . . . 0.0 110.92 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -108.63 101.01 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.449 . . . . 0.0 111.728 -171.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.434 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 69.0 tp -87.84 102.17 14.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -100.75 -18.64 16.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.522 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.22 118.53 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.313 0.577 . . . . 0.0 111.173 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.713 ' HE3' ' HD2' ' A' ' 40' ' ' LYS . 24.2 ptm -128.79 131.9 47.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.985 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.547 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 12.3 p -104.83 127.55 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.309 0.576 . . . . 0.0 110.133 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.724 ' HE2' HD12 ' A' ' 73' ' ' LEU . 25.3 mtpp -127.17 111.03 13.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.695 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.486 ' OE2' ' HA ' ' A' ' 44' ' ' ASN . 32.0 tt0 -78.68 111.88 15.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 p -108.95 111.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.55 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 61.52 36.76 16.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.687 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.486 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 2.4 t-20 73.35 13.69 4.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.375 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 45' ' ' ARG . 51.7 mtt180 -102.72 126.7 32.02 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.556 173.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -72.18 110.98 3.08 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.506 2.138 . . . . 0.0 112.226 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.39 135.18 54.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.259 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -116.69 138.52 47.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.413 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t -120.19 132.06 55.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.916 0.388 . . . . 0.0 110.261 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.991 ' HB2' HD13 ' A' ' 56' ' ' LEU . 8.7 mp -113.64 172.8 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.431 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 35' ' ' LEU . 67.4 mttm -74.56 167.13 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 170.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.9 m -67.15 97.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.109 0.481 . . . . 0.0 109.787 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.0 m -116.56 151.24 46.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.909 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.442 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 37.9 Cg_exo -57.57 -37.17 97.91 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.686 2.257 . . . . 0.0 112.03 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -63.89 -42.76 97.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.785 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.991 HD13 ' HB2' ' A' ' 50' ' ' LEU . 12.9 mt -64.25 -36.78 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.026 175.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -62.27 -35.56 79.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.93 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 38.7 mt-10 -55.89 -54.31 46.2 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.965 0.412 . . . . 0.0 110.476 177.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.6 mp -56.4 -40.32 74.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.758 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.9 tp -68.49 -31.88 71.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.529 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 57' ' ' ALA . 37.8 mmt180 -74.75 -33.82 62.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.043 0.449 . . . . 0.0 110.689 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -86.65 -33.21 20.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.489 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 62.19 24.76 14.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.859 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -101.23 19.69 17.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.701 0.763 . . . . 0.0 109.512 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.679 ' HB3' HD22 ' A' ' 87' ' ' LEU . 34.7 m -150.15 159.32 44.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.525 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -82.98 119.42 24.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.94 0.4 . . . . 0.0 110.897 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.414 177.276 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.607 ' HA ' ' NE ' ' A' ' 71' ' ' ARG . 4.7 mmp_? . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 121.025 0.44 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.589 ' HB3' ' HZ2' ' A' ' 24' ' ' TRP . 46.8 t-80 -95.41 -15.47 22.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.255 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.724 HD12 ' HE2' ' A' ' 40' ' ' LYS . 5.7 mp -61.4 -73.73 0.09 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 -175.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -160.43 167.97 26.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -80.44 -27.68 37.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.856 0.36 . . . . 0.0 110.686 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.5 177.59 7.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 75.17 -48.91 0.64 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.554 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -86.99 134.06 33.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.752 0.311 . . . . 0.0 110.286 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.594 ' HB2' HD11 ' A' ' 56' ' ' LEU . 15.4 m -125.64 126.37 44.61 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.6 m -111.68 129.47 56.09 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.3 -172.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.5 t -111.4 128.91 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.842 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -91.8 115.71 28.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.941 0.4 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.448 HD12 HD12 ' A' ' 3' ' ' ILE . 89.4 mt -81.31 77.85 8.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.556 0.693 . . . . 0.0 110.751 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -127.08 -29.7 2.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.827 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.44 -160.65 19.38 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.466 ' OG ' ' HA ' ' A' ' 65' ' ' SER . 23.2 t 72.03 -66.57 0.3 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.376 0.67 . . . . 0.0 111.443 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 65' ' ' SER . 2.8 mm? -95.83 124.14 53.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.542 0.211 . . . . 0.0 110.883 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.463 ' HD2' ' HG3' ' A' ' 91' ' ' GLN . 63.2 Cg_endo -75.72 -178.31 4.22 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.606 2.204 . . . . 0.0 112.363 174.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.548 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 8.9 p-10 -59.43 -36.26 75.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.266 -175.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -67.7 -38.31 83.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.81 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.463 ' HG3' ' HD2' ' A' ' 88' ' ' PRO . 15.9 mm100 -65.46 -31.94 73.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.369 -177.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.58 -44.97 94.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.635 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -63.71 -36.3 83.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -59.35 -42.18 90.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.072 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.09 -43.28 58.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.16 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.27 -47.64 91.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.378 -177.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -65.63 -38.82 90.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.023 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.44 98.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t -67.45 -32.09 72.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.154 0.502 . . . . 0.0 110.116 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.424 ' O ' HG22 ' A' ' 104' ' ' VAL . 69.2 t80 -70.13 -41.79 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.428 176.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -60.7 -49.14 78.7 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.577 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.51 ' HG3' ' N ' ' A' ' 103' ' ' ALA . 1.7 pt20 -63.03 -40.11 96.75 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.492 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -57.94 -45.51 86.49 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.312 -178.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 100' ' ' TYR . 98.8 t -63.81 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -77.09 -16.13 59.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.587 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 86.0 mt -93.49 -4.9 50.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.699 0.285 . . . . 0.0 111.022 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 84.2 mt -75.82 152.63 84.91 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.894 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.39 154.35 64.5 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.282 1.988 . . . . 0.0 110.633 171.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.31 -45.21 68.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.378 0.424 . . . . 0.0 111.818 -172.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.522 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 1.9 tm-20 -55.5 -47.25 76.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.6 ' HD3' ' HG3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -72.37 -42.89 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.599 . . . . 0.0 110.428 -178.642 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.8 tmm_? -60.34 -47.74 84.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.867 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 113' ' ' LYS . 66.9 mmtt -63.67 -31.28 72.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.924 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.576 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 54.2 mt -59.43 -48.93 79.74 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.745 0.307 . . . . 0.0 110.81 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 mt -69.99 -26.78 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.262 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.9 t -76.16 -38.44 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.218 0.532 . . . . 0.0 110.838 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -71.79 -27.74 63.15 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.003 -178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 90.9 mt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.078 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.546 ' HB3' ' HB2' ' A' ' 89' ' ' ASP . 5.6 tmm? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.56 171.95 8.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.639 -169.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.526 ' HA ' ' HB2' ' A' ' 6' ' ' LEU . 49.9 mm -53.13 -35.48 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 123.487 0.715 . . . . 0.0 112.659 -174.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 p -56.29 -39.92 73.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.102 0.477 . . . . 0.0 110.8 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 36.3 mt-10 -78.21 -31.47 49.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.359 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.526 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 1.5 mm? -61.03 -35.75 77.71 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.279 178.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 7' ' ' LEU . 1.3 tm? -54.87 -50.52 68.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.46 . . . . 0.0 109.924 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -67.45 -36.96 82.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.747 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -64.68 -36.37 84.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.98 -33.37 73.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.037 0.446 . . . . 0.0 110.469 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.648 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 28.0 mmt -80.14 -1.34 39.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -2.65 58.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.201 0.524 . . . . 0.0 109.875 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.59 103.63 33.31 Favored Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.479 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.9 119.08 6.0 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.857 2.371 . . . . 0.0 112.839 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.52 -25.62 9.02 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.989 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.48 123.67 32.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.775 0.321 . . . . 0.0 110.331 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -115.15 124.36 51.3 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 4.2 pp0? -96.43 155.72 16.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.367 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -153.9 104.69 2.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.364 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.6 p -79.23 112.35 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.483 0.658 . . . . 0.0 110.127 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -86.94 125.69 34.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.773 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -79.67 16.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.507 0.67 . . . . 0.0 110.577 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.24 -55.61 11.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.731 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -140.06 16.53 2.45 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.138 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 61.91 84.08 0.14 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.995 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.14 136.36 17.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.285 -1.325 . . . . 0.0 108.907 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 27.3 m -99.71 117.53 34.25 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.224 0.535 . . . . 0.0 110.828 -177.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -88.04 112.88 23.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.739 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.428 HG12 ' HB3' ' A' ' 18' ' ' GLN . 39.8 mt -107.42 108.37 25.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.0 0.428 . . . . 0.0 109.851 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -141.29 169.44 17.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.729 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.404 HG11 ' H ' ' A' ' 32' ' ' GLU . 1.9 t -86.79 -141.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 172.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' H ' HG11 ' A' ' 31' ' ' VAL . 39.7 mt-10 -67.21 -49.8 63.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.09 -0.381 . . . . 0.0 110.678 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -142.01 16.14 2.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.548 0.69 . . . . 0.0 110.436 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.3 t -113.22 108.95 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.836 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.0 tp -93.93 114.15 26.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.962 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -106.04 -32.14 8.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.52 155.18 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.066 0.46 . . . . 0.0 111.314 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.434 ' O ' ' HG3' ' A' ' 38' ' ' MET . 14.0 ptp -138.79 119.74 14.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.329 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 14.9 p -87.14 137.19 21.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -153.92 136.37 15.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.847 0.356 . . . . 0.0 111.745 -166.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -93.03 110.48 21.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -126.19 135.89 62.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.864 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 60.53 25.04 14.69 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -169.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.9 t30 61.3 23.67 13.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.452 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.4 ' HB2' ' HE1' ' A' ' 82' ' ' TYR . 19.9 mmt180 -114.09 134.67 22.14 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.77 177.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -70.02 121.19 7.83 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.238 1.959 . . . . 0.0 111.896 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.69 169.88 16.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.162 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.48 134.58 30.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.956 0.408 . . . . 0.0 110.57 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.2 m -106.32 120.11 41.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.107 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.499 HD22 ' HG ' ' A' ' 56' ' ' LEU . 5.9 mp -98.55 145.95 26.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.842 ' HE2' ' HA ' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -95.26 -17.94 21.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.917 0.389 . . . . 0.0 110.185 178.07 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.611 HG23 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -126.58 -160.15 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.252 -176.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.611 ' H ' HG23 ' A' ' 52' ' ' THR . 37.3 t 75.66 113.4 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.253 0 C-N-CA 123.879 0.871 . . . . 0.0 111.543 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.08 -21.59 13.76 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.892 2.395 . . . . 0.0 111.928 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -75.21 -36.15 61.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.484 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.499 ' HG ' HD22 ' A' ' 50' ' ' LEU . 3.9 mm? -62.9 -35.92 81.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.873 0.368 . . . . 0.0 110.331 175.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.678 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -62.32 -39.6 93.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.508 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.49 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.98 -31.57 71.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.458 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.6 tp -72.89 -40.58 65.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.427 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.678 ' HG2' ' O ' ' A' ' 57' ' ' ALA . 31.9 mmt180 -73.8 -50.61 19.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.772 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.65 -55.32 5.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.187 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.52 ' O ' HG11 ' A' ' 67' ' ' VAL . 19.2 mm-40 -93.15 54.42 2.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.053 0.454 . . . . 0.0 110.655 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -77.21 44.33 0.41 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.242 -174.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 t -165.37 -39.27 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 63' ' ' GLN . 27.1 t70 -65.35 -46.89 78.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.201 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.52 HG11 ' O ' ' A' ' 63' ' ' GLN . 11.1 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.902 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -72.63 -19.59 61.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.267 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.9 mt -121.88 -177.42 3.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.854 0.359 . . . . 0.0 110.927 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -72.31 102.42 3.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.647 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -67.74 -24.28 65.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.988 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.96 40.03 1.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.022 0.439 . . . . 0.0 110.722 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -152.12 -38.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -108.13 170.23 8.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.782 168.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 m -125.32 126.29 44.84 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 m -128.19 130.06 47.44 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.841 -175.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.1 122.01 68.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.98 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.492 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . 7.7 m-85 -77.35 118.94 20.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.295 0.569 . . . . 0.0 110.58 177.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.4 mt -97.78 30.78 2.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.689 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.492 ' OD1' ' HB3' ' A' ' 82' ' ' TYR . 5.6 p-10 -76.38 0.18 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.214 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.38 -15.04 3.69 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.227 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.0 t -63.84 -55.27 24.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.906 0.384 . . . . 0.0 110.306 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 4.0 mm? -96.65 141.36 22.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.034 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 10.9 Cg_exo -71.11 161.3 46.42 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.988 2.458 . . . . 0.0 112.44 -178.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.546 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 4.5 p30 -64.85 -24.69 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.237 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 p -64.92 -28.44 69.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.097 0.475 . . . . 0.0 110.911 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -73.18 -32.32 64.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.707 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.9 mt -61.61 -35.9 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -54.14 -48.86 70.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.1 0.476 . . . . 0.0 110.867 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.68 -43.52 97.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.848 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.23 -41.34 98.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.472 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -77.46 -51.9 17.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.801 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.42 -42.95 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.143 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -62.79 -41.99 99.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.612 0.244 . . . . 0.0 111.485 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.505 ' HA ' HE21 ' A' ' 102' ' ' GLN . 50.7 m -62.91 -41.36 99.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 110.909 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.48 ' O ' HG21 ' A' ' 104' ' ' VAL . 32.8 t80 -62.76 -48.07 80.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.735 178.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -57.42 -44.46 84.63 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.177 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.505 HE21 ' HA ' ' A' ' 99' ' ' SER . 48.0 mt-30 -57.38 -44.61 84.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.025 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.498 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.64 -39.92 94.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.416 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 100' ' ' TYR . 91.0 t -63.37 -42.98 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.182 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -69.82 -18.67 63.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.382 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 95.4 mt -90.57 -8.56 49.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.98 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 87.3 mt -84.92 155.54 61.17 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.913 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.84 160.24 26.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.987 2.458 . . . . 0.0 112.312 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.2 mm-40 -54.31 -48.29 71.48 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.967 -176.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.471 ' CD ' ' H ' ' A' ' 110' ' ' GLU . 4.8 mp0 -53.05 -50.14 64.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.152 0.501 . . . . 0.0 111.044 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -67.47 -40.17 85.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.131 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.429 ' O ' HG21 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -60.32 -35.97 76.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.59 -176.493 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 71.5 mmtt -58.94 -47.82 83.69 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.197 0.523 . . . . 0.0 110.976 -177.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.28 -44.77 95.06 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.849 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 44.2 mt -64.69 -31.75 73.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.341 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 112' ' ' ARG . 86.5 t -78.23 -32.29 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.938 0.399 . . . . 0.0 110.975 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -74.98 -28.31 60.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.243 -176.418 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.516 ' HE3' ' HB2' ' A' ' 89' ' ' ASP . 20.9 ptp . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.7 0.286 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -117.37 -179.21 3.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.4 mm -64.47 -31.03 51.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.2 -173.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -63.05 -47.66 82.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.544 0.212 . . . . 0.0 110.924 -175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.07 -41.93 99.54 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.249 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.64 -41.53 86.22 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.628 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.99 -45.47 92.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.995 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -58.78 -39.39 80.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.03 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -61.81 -45.04 95.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.649 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.0 m -61.92 -36.35 81.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.284 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.564 ' HA ' ' HE1' ' A' ' 11' ' ' MET . 30.9 mmt -70.23 -18.05 63.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 111.12 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.16 59.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.219 0.533 . . . . 0.0 110.482 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 72.8 mmtt -94.64 117.04 66.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 24.3 Cg_exo -61.93 113.47 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.683 2.255 . . . . 0.0 111.968 -177.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 112.06 -18.3 23.91 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 176.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.97 113.97 12.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.703 0.287 . . . . 0.0 110.47 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -113.9 154.71 27.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.303 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.3 140.2 29.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.118 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.1 m -147.57 109.39 4.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.714 0.292 . . . . 0.0 110.944 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -95.86 124.14 48.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.268 0.556 . . . . 0.0 110.12 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -101.25 121.74 42.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.019 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -70.84 96.35 1.25 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.942 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 175.12 -71.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -80.8 -22.4 40.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.445 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.4 tttt 67.04 19.18 10.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.84 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 169.69 11.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.9 m -110.32 117.87 34.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.129 0.49 . . . . 0.0 110.324 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -92.06 131.73 37.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.068 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.9 mt -104.13 110.11 29.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.57 162.22 33.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.39 -175.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 107' ' ' LEU . 2.1 t -94.57 -134.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -56.34 -66.38 0.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.075 0.464 . . . . 0.0 111.338 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -135.77 8.61 3.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.672 0.749 . . . . 0.0 109.597 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.14 103.71 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.109 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.8 tp -84.07 128.43 34.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.46 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 37.0 p90 -119.8 -34.44 3.75 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.351 -0.54 . . . . 0.0 112.387 -177.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.33 158.64 43.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.766 0.317 . . . . 0.0 111.097 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.2 ptp -147.02 130.32 16.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.382 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.18 121.91 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.98 117.92 14.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.626 -173.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -78.56 124.46 28.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.786 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.91 136.82 19.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 66.04 31.49 8.96 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 67.0 31.13 7.14 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.543 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -144.54 110.26 4.9 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.775 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.581 ' HA ' ' HA ' ' A' ' 41' ' ' GLU . 14.7 Cg_exo -68.52 114.92 3.65 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.733 2.289 . . . . 0.0 111.473 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.83 155.11 45.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.441 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.97 134.5 59.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.124 0.487 . . . . 0.0 110.458 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 m -103.0 122.64 45.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.746 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mp -110.04 178.95 4.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.387 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 36' ' ' PHE . 99.6 mttt -91.6 176.85 6.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.883 0.373 . . . . 0.0 110.595 177.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -72.82 89.55 1.38 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.182 173.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.802 ' HB2' HD23 ' A' ' 56' ' ' LEU . 11.8 m -113.45 165.06 14.16 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.3 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 53' ' ' SER . 40.3 Cg_exo -36.06 -67.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.743 2.962 . . . . 0.0 114.389 -176.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HG2' ' HE2' ' A' ' 94' ' ' TYR . 8.6 mp0 -67.04 -34.65 78.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' ' 53' ' ' SER . 3.6 mm? -68.57 -41.36 79.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.902 0.382 . . . . 0.0 110.935 -177.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.46 -47.54 72.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.009 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -60.05 -38.66 83.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.167 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 63' ' ' GLN . 45.7 tp -52.42 -50.96 61.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.663 175.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.03 -30.05 68.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.052 0.453 . . . . 0.0 111.054 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -73.26 -44.11 59.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.603 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.95 -50.63 4.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.593 ' HG3' HD11 ' A' ' 59' ' ' LEU . 15.1 mm100 -74.69 97.76 3.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 0.0 111.037 -174.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -85.45 -20.84 29.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.643 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.7 m -104.86 -177.6 3.41 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.394 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.51 -71.9 0.11 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.53 0.519 . . . . 0.0 112.175 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 121.737 0.78 . . . . 0.0 111.408 -175.328 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HB3' ' HD2' ' A' ' 75' ' ' LYS . 23.4 tpt180 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -83.94 -15.69 46.96 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.1 mt -89.59 -158.33 0.51 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.313 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -50.2 113.8 0.95 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HD2' ' HB3' ' A' ' 71' ' ' ARG . 7.3 mmmm -75.06 -51.86 12.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.749 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.52 66.11 9.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.043 0.449 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -176.3 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.129 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -120.63 136.84 54.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.365 176.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.5 m -125.2 126.41 45.18 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.446 0.641 . . . . 0.0 110.132 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.1 m -94.26 114.63 26.76 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.507 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 87' ' ' LEU . 59.1 t -87.48 116.1 29.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.199 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.88 118.38 14.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.891 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.4 mt -86.98 12.64 10.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.434 0.635 . . . . 0.0 109.953 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -83.96 72.18 10.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.054 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.38 38.51 95.03 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.462 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 t -109.52 -81.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.79 0.295 . . . . 0.0 110.667 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.423 HD11 HG11 ' A' ' 81' ' ' VAL . 74.8 mt -87.19 144.12 35.7 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 120.699 0.285 . . . . 0.0 110.783 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.95 166.26 29.63 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.775 2.317 . . . . 0.0 112.582 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.516 ' HB2' ' HE3' ' A' ' 1' ' ' MET . 11.5 p-10 -67.25 -26.53 66.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.885 -178.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 p -68.84 -29.25 67.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.026 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -70.51 -32.04 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.303 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 96' ' ' VAL . 49.8 mm -56.2 -41.82 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.203 -177.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -57.5 -42.81 83.49 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.402 ' HE2' ' HG2' ' A' ' 55' ' ' GLU . 66.0 t80 -71.53 -40.01 70.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.726 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.71 -43.96 97.84 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.352 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 92' ' ' ILE . 93.0 t -62.84 -52.38 60.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.035 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.54 -37.01 85.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.487 -177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.51 91.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.864 0.364 . . . . 0.0 111.093 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -76.07 -34.35 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.778 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.464 ' O ' HG23 ' A' ' 104' ' ' VAL . 54.4 t80 -73.14 -42.51 62.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.024 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -59.23 -50.29 74.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.79 0.328 . . . . 0.0 111.275 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.45 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 11.8 pt20 -59.7 -32.52 70.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.38 -42.41 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.626 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.49 ' HA ' HD13 ' A' ' 107' ' ' LEU . 84.5 t -62.43 -35.49 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.051 0.453 . . . . 0.0 110.681 178.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.77 -17.12 63.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.914 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 87.7 mt -97.54 -4.34 38.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.916 0.389 . . . . 0.0 110.555 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 104' ' ' VAL . 94.4 mt -84.6 151.43 58.6 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.629 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.33 169.74 17.67 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.904 2.402 . . . . 0.0 112.78 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' HG2' ' NH2' ' A' ' 112' ' ' ARG . 0.4 OUTLIER -54.16 -49.13 69.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.421 -177.577 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -52.14 -53.25 45.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.716 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.628 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 13.9 mptt -63.08 -43.34 98.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.831 -173.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.418 ' O ' HG22 ' A' ' 116' ' ' VAL . 18.1 mtm180 -62.94 -41.69 99.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -69.48 -32.16 70.89 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.739 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.77 -40.88 79.49 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 79.3 mt -59.98 -34.66 73.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 112' ' ' ARG . 52.6 t -70.2 -29.25 38.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.294 0.569 . . . . 0.0 110.854 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -76.45 -28.85 56.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.119 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.109 -175.029 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.99 148.58 27.54 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.529 HD12 ' HB2' ' A' ' 46' ' ' PRO . 41.0 mm -63.16 -29.97 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.411 -176.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -58.36 -38.51 77.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.788 0.328 . . . . 0.0 110.706 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.88 -41.33 82.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.207 0.527 . . . . 0.0 110.278 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.46 -42.17 99.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.681 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 88.9 mt -64.44 -40.11 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.05 -39.65 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.942 0.401 . . . . 0.0 109.925 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -64.7 -35.66 81.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.935 177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.9 m -73.04 -27.02 61.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 110.846 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.529 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 1.6 mmt -71.36 -11.73 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.839 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.7 -1.02 57.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.526 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -96.3 115.74 65.77 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.03 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.94 131.82 26.54 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.912 2.408 . . . . 0.0 112.251 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.82 -0.15 89.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.561 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.07 125.34 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.007 0.432 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -106.65 124.24 49.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.723 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.13 120.47 37.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.159 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 m -125.74 104.36 8.31 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.397 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.576 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 5.5 p -79.92 123.12 36.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.127 0.489 . . . . 0.0 109.754 175.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -98.81 137.49 37.31 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -70.95 -169.36 0.35 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 73.07 -66.28 0.32 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.577 0.751 . . . . 0.0 109.937 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -94.95 -16.29 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.5 mttt 59.52 26.49 15.48 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.546 0.689 . . . . 0.0 110.587 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.57 127.08 32.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.073 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.576 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 16.6 m -89.8 117.37 28.59 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.893 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -95.44 128.65 42.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.598 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 mt -103.84 113.12 39.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 33' ' ' ASP . 22.3 ptmt -131.52 163.82 27.17 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.443 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -90.28 -134.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -48.01 -63.1 1.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.164 0.507 . . . . 0.0 109.958 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.7 t70 -145.9 8.75 1.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.712 0.768 . . . . 0.0 109.46 170.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.6 t -85.74 105.99 14.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.424 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 tp -86.81 127.25 35.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.831 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -118.85 -32.43 4.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.009 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.67 162.77 39.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.728 0.299 . . . . 0.0 110.854 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.6 ' HE1' ' HD3' ' A' ' 40' ' ' LYS . 25.5 ptt? -156.21 146.57 21.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.445 HG23 HD11 ' A' ' 3' ' ' ILE . 7.5 p -105.0 127.76 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.083 0.468 . . . . 0.0 110.422 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.6 ' HD3' ' HE1' ' A' ' 38' ' ' MET . 7.6 mtmp? -121.04 123.35 42.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 -175.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.86 111.89 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -146.02 128.61 9.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.085 -177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.9 OUTLIER 63.39 31.35 15.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.699 178.734 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.503 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 8.1 t30 78.48 -2.69 2.35 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.981 0.8 . . . . 0.0 110.865 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -100.0 111.16 61.57 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.674 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HB2' HD12 ' A' ' 3' ' ' ILE . 58.1 Cg_endo -83.7 107.39 1.36 Allowed 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.379 2.053 . . . . 0.0 110.537 172.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 82' ' ' TYR . . . -124.34 163.02 22.58 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.358 -173.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.49 132.24 66.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.099 0.476 . . . . 0.0 110.856 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 20.4 m -97.75 129.29 44.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.119 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.37 163.36 12.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.991 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HG2' ' H ' ' A' ' 52' ' ' THR . 60.8 tttt -92.4 -144.95 0.21 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.985 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.479 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 17.4 p -76.61 73.24 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.282 0.563 . . . . 0.0 109.785 174.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 15.2 m -109.79 140.31 22.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.599 -173.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 22.4 Cg_exo -65.85 -22.17 56.73 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.104 2.536 . . . . 0.0 111.989 176.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 94' ' ' TYR . 9.6 mp0 -54.31 -41.57 69.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.12 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.82 -32.59 73.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.979 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.21 -35.13 63.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.934 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -62.55 -46.21 89.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.347 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.3 mt -52.31 -47.87 65.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.117 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 60' ' ' LEU . 6.7 tt -55.3 -36.99 66.78 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.644 0.59 . . . . 0.0 111.761 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -75.41 -25.59 57.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.385 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.25 -59.95 1.73 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.141 -175.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -116.22 -173.26 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 65' ' ' SER . 47.8 m80 -140.68 177.95 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 71.3 m 69.8 14.24 8.04 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.481 0.657 . . . . 0.0 109.994 -173.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' OD2' HG23 ' A' ' 67' ' ' VAL . 12.3 p-10 -97.48 178.42 5.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.546 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.436 HG23 ' OD2' ' A' ' 66' ' ' ASP . 53.6 t . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 121.491 0.662 . . . . 0.0 111.203 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -70.45 -28.0 64.68 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 171.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.3 mt -86.64 -78.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.709 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -166.98 113.01 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -51.21 -62.3 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.786 0.679 . . . . 0.0 112.59 -168.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.1 78.46 1.52 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.166 0.508 . . . . 0.0 111.058 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -170.97 -44.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.333 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -124.35 127.16 47.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.627 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.2 t -127.16 136.46 52.11 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 9.4 m -107.93 128.93 55.07 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.988 0.423 . . . . 0.0 111.5 -173.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.69 103.84 15.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 80' ' ' THR . 78.7 m-85 -85.6 128.43 34.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.743 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.15 34.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.31 0.576 . . . . 0.0 110.615 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 82' ' ' TYR . 36.8 t70 -85.48 -14.12 47.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.091 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.22 -147.99 11.75 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.645 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.9 m -85.33 85.83 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.851 0.357 . . . . 0.0 111.153 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.07 112.8 31.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.429 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -74.09 161.09 41.66 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.771 2.314 . . . . 0.0 112.248 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.68 -39.57 84.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.053 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.6 m -62.55 -28.81 70.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.409 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -70.12 -33.08 71.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.033 0.444 . . . . 0.0 110.697 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.56 -38.44 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.782 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -59.85 -49.49 77.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 55' ' ' GLU . 77.0 t80 -64.28 -44.48 91.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.067 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.9 mt -56.45 -42.59 78.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.86 0.362 . . . . 0.0 111.263 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.37 -52.86 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.479 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -70.27 -34.66 73.06 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -60.05 -35.69 75.69 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.058 0.456 . . . . 0.0 110.397 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.431 ' HA ' ' NE2' ' A' ' 102' ' ' GLN . 17.9 m -70.74 -30.26 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.25 176.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.488 ' O ' HG21 ' A' ' 104' ' ' VAL . 52.9 t80 -66.79 -45.18 79.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.337 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.43 -34.78 67.14 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.569 0.223 . . . . 0.0 111.187 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 72.7 mt-30 -60.79 -46.39 90.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.9 -40.8 75.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.087 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 100' ' ' TYR . 74.9 t -58.19 -45.62 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.302 -176.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.02 -16.61 59.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.85 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.0 mt -93.16 -4.86 51.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.19 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 84.6 mt -69.65 139.59 88.91 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 0.0 111.064 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.527 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 17.1 Cg_exo -68.97 -179.32 2.48 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 123.326 2.684 . . . . 0.0 113.169 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -45.46 -64.2 0.78 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.804 -1.089 . . . . 0.0 112.289 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -49.31 -52.99 24.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.092 -175.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.527 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 3.4 mptp? -63.09 -48.7 77.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.911 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.2 mmt180 -56.62 -44.41 81.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.936 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.799 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 8.1 mmpt? -53.8 -44.99 70.62 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 111.647 -177.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -36.36 82.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 -177.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 80.1 mt -77.7 -26.68 50.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.774 -175.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.1 t -80.54 -37.75 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.759 0.314 . . . . 0.0 111.232 -177.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -72.93 -28.53 62.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.795 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.753 -0.641 . . . . 0.0 110.457 179.079 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.8 p -99.96 155.83 17.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.083 0.468 . . . . 0.0 111.618 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.572 HD11 ' HB ' ' A' ' 39' ' ' VAL . 65.2 mt -64.38 -33.02 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.999 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.5 t -54.38 -41.77 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.885 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.71 -41.85 68.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.453 0.644 . . . . 0.0 109.875 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.2 -36.46 83.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.789 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 47.0 mt -54.47 -41.99 70.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.121 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -72.31 -33.07 67.1 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.533 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.65 -32.22 73.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.447 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.0 m -59.92 -35.11 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.855 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 94.1 mmm -76.87 -10.94 59.71 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.737 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.99 -6.55 57.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 9.1 mmpt? -96.68 108.08 40.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 176.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.468 ' O ' HD22 ' A' ' 115' ' ' LEU . 24.3 Cg_endo -62.0 107.79 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.632 2.221 . . . . 0.0 112.537 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 -3.43 18.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.657 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.54 117.37 31.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.752 0.31 . . . . 0.0 111.04 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -106.0 146.53 29.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.311 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -89.95 119.87 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.578 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -112.31 107.65 16.57 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.009 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.44 145.84 8.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.076 0.465 . . . . 0.0 111.143 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.55 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 11.3 m80 -126.73 162.49 25.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.319 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -82.23 -174.74 5.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.125 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.2 t70 77.96 -62.58 0.36 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.077 0.951 . . . . 0.0 111.781 177.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.51 ' HD1' ' H ' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -122.99 4.22 9.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.702 0.287 . . . . 0.0 111.342 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 42.9 tttp 57.58 38.03 27.73 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.58 172.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB3' ' HG3' ' A' ' 40' ' ' LYS . . . -68.09 140.64 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.617 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -111.04 118.45 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.111 0.481 . . . . 0.0 110.693 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -100.94 133.46 45.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.182 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.2 mt -104.72 108.83 25.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' O ' ' A' ' 31' ' ' VAL . 3.9 pptp? -143.8 154.8 43.79 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.742 -175.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.568 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 2.2 t -81.95 -131.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.194 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -48.64 -67.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.098 0.475 . . . . 0.0 110.028 171.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.75 9.26 1.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.968 0.889 . . . . 0.0 109.102 170.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.85 97.69 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.496 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.8 tp -85.89 111.16 19.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.726 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -109.2 -12.84 14.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.657 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.37 149.98 2.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.496 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.56 136.85 23.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.043 0.449 . . . . 0.0 110.381 174.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.572 ' HB ' HD11 ' A' ' 3' ' ' ILE . 15.7 m -105.91 138.4 31.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.898 -176.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.492 ' HD3' ' C ' ' A' ' 39' ' ' VAL . 3.3 mppt? -134.36 123.55 24.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.708 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -79.07 110.76 14.61 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 169.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.456 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.5 p -127.82 121.57 56.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.794 -178.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HG3' HG22 ' A' ' 42' ' ' VAL . 31.1 mt-10 62.17 22.66 13.3 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.752 -177.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t30 66.23 21.07 11.09 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.272 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -115.21 119.87 37.76 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.86 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HB3' HG13 ' A' ' 3' ' ' ILE . 21.5 Cg_endo -61.48 117.9 4.74 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.96 2.44 . . . . 0.0 113.012 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.45 130.67 46.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.0 110.944 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -123.7 158.11 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.015 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 79' ' ' SER . 20.3 m -131.45 129.59 41.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 95' ' ' LEU . 6.8 mp -122.43 -83.64 0.66 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.23 0.331 . . . . 0.0 111.557 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.807 ' HD3' ' H ' ' A' ' 52' ' ' THR . 6.5 tmtt? 68.57 174.84 0.28 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.697 0.623 . . . . 0.0 109.408 -174.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.807 ' H ' ' HD3' ' A' ' 51' ' ' LYS . 4.0 m 61.72 26.7 16.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.8 0.81 . . . . 0.0 111.323 175.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.5 p -138.21 130.93 16.31 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -51.87 -55.32 4.02 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.388 2.725 . . . . 0.0 113.882 -173.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.87 -41.47 99.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.131 -176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.77 -38.78 87.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.844 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.59 84.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.211 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -72.97 -44.56 60.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.043 0.449 . . . . 0.0 110.392 176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.428 ' HG ' HG11 ' A' ' 67' ' ' VAL . 38.9 tp -52.72 -46.21 67.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.278 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HA ' HG12 ' A' ' 67' ' ' VAL . 4.6 pp -71.99 -28.62 63.52 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.967 0.413 . . . . 0.0 111.182 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.177 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.66 -54.05 4.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.399 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.5 HE21 HG13 ' A' ' 67' ' ' VAL . 24.4 mt-30 -82.39 128.12 33.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.704 0.287 . . . . 0.0 110.73 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -122.69 -7.28 8.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.099 0.476 . . . . 0.0 110.046 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -94.21 -34.2 12.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.553 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.63 -87.42 0.26 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.291 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.5 HG13 HE21 ' A' ' 63' ' ' GLN . 3.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.994 0.426 . . . . 0.0 109.905 175.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.657 ' HD2' ' O ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 121.466 0.65 . . . . 0.0 111.232 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -75.87 -16.93 59.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.871 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.41 HD21 ' CH2' ' A' ' 24' ' ' TRP . 76.4 mt -136.74 -60.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.095 176.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -147.12 168.96 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -85.19 -52.64 5.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.881 0.372 . . . . 0.0 111.307 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.28 99.97 4.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 111.278 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -175.98 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -119.05 -179.08 3.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.933 173.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 49' ' ' SER . 19.5 m -132.42 131.21 41.54 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.0 m -91.37 113.86 26.24 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.906 0.384 . . . . 0.0 110.809 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 t -109.65 118.99 58.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.453 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -89.64 115.09 26.76 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.927 0.394 . . . . 0.0 110.653 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.511 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . 47.1 mt -67.22 -26.87 66.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.911 0.862 . . . . 0.0 108.787 176.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.78 68.49 9.93 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.502 169.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.95 -140.74 2.95 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.617 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.7 t -87.06 -15.73 37.7 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 87' ' ' LEU . 3.6 mm? -76.45 126.3 86.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.598 0.237 . . . . 0.0 111.627 -176.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.17 160.56 26.47 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.966 2.444 . . . . 0.0 112.364 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.24 -50.59 49.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.037 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -56.07 -42.68 77.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.927 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.527 HE22 HD21 ' A' ' 95' ' ' LEU . 20.4 tm0? -69.47 -37.25 77.22 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.489 HD12 HD23 ' A' ' 83' ' ' LEU . 79.5 mt -63.28 -41.06 91.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.042 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -62.44 -37.16 84.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.042 0.449 . . . . 0.0 110.179 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -64.37 -42.01 96.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.582 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.64 ' HB3' HD22 ' A' ' 50' ' ' LEU . 70.5 mt -58.18 -55.29 36.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.792 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.69 -45.64 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.056 0.455 . . . . 0.0 111.237 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.67 -31.5 70.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.12 82.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.783 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.555 ' HA ' HE21 ' A' ' 102' ' ' GLN . 66.4 m -62.7 -34.69 77.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.062 0.458 . . . . 0.0 110.648 176.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.572 ' O ' HG23 ' A' ' 104' ' ' VAL . 44.2 t80 -69.41 -45.89 68.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.21 175.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -41.42 94.49 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.032 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.555 HE21 ' HA ' ' A' ' 99' ' ' SER . 11.0 pt20 -64.97 -31.63 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.768 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -72.97 -29.67 63.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.811 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 100' ' ' TYR . 88.5 t -62.94 -38.77 82.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.829 -177.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -76.97 -17.12 59.09 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.852 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.6 mt -81.57 -32.48 32.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 98.7 mt -74.03 140.42 77.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.56 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 5.6 Cg_exo -80.9 -176.97 3.42 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.886 2.391 . . . . 0.0 113.219 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -47.14 -51.35 18.37 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.298 177.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -48.65 -52.65 22.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.936 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.618 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 14.0 mptt -69.17 -42.58 75.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.263 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' HG21 ' A' ' 116' ' ' VAL . 14.0 mtp180 -61.35 -37.18 82.39 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.123 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.701 ' HA ' ' HE3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -58.16 -32.37 68.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.155 0.503 . . . . 0.0 110.823 179.118 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.493 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 93.3 mt -81.91 -46.58 13.87 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.985 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 62.9 mt -57.49 -32.64 67.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.188 -175.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 112' ' ' ARG . 88.6 t -68.52 -41.36 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.014 0.435 . . . . 0.0 110.659 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -77.23 -29.18 53.98 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.203 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 87.0 mt . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.732 -0.651 . . . . 0.0 111.674 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 ttm . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.1 -0.334 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.9 p -100.39 169.86 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.867 0.365 . . . . 0.0 111.187 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.526 HD13 ' HB3' ' A' ' 46' ' ' PRO . 46.4 mm -68.9 -24.57 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.316 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -59.84 -43.67 94.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.345 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -59.97 -45.66 91.96 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.28 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.6 -49.69 70.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.206 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -55.96 -49.34 73.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.66 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.94 -43.04 99.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.943 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -68.47 -32.47 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.851 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.5 m -67.84 -34.42 76.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.633 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.3 mtp -75.61 -13.32 60.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 110.556 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.34 1.1 52.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.487 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -93.47 109.36 40.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.91 112.59 1.33 Allowed 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.583 2.189 . . . . 0.0 112.387 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.03 -13.26 24.19 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.18 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.09 128.22 45.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.095 0.474 . . . . 0.0 110.521 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -124.94 147.66 48.76 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -110.6 152.13 26.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.243 0.544 . . . . 0.0 110.958 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -138.59 103.79 4.95 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.441 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 3.5 p -97.74 123.86 50.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.317 0.579 . . . . 0.0 110.633 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -107.73 97.04 6.81 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -66.39 133.5 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.173 0.511 . . . . 0.0 111.557 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 173.12 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -144.53 32.76 1.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.288 172.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HD3' ' HB3' ' A' ' 41' ' ' GLU . 9.5 mptt 58.53 40.79 23.44 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.213 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.878 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . . . -76.01 97.57 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.659 177.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 9.4 m -109.35 118.31 36.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.528 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -99.83 113.28 25.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.379 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.1 mt -98.66 114.82 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 33' ' ' ASP . 60.8 pttt -148.92 169.16 21.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.242 0.544 . . . . 0.0 111.908 -171.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.12 -131.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -38.79 -66.06 0.31 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.539 0.685 . . . . 0.0 110.087 172.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 25.6 t70 -154.06 19.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.276 169.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 t -80.98 94.76 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.959 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 38' ' ' MET . 56.5 tp -79.25 101.73 8.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -96.59 -27.77 14.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.166 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.37 132.1 14.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.964 0.411 . . . . 0.0 110.73 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.603 ' HG3' ' HB2' ' A' ' 49' ' ' SER . 6.0 ptt? -133.18 122.01 23.39 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 14.4 p -102.71 140.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.986 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.878 ' HG3' ' HA ' ' A' ' 26' ' ' ALA . 3.7 mppt? -138.82 161.34 37.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.954 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 25' ' ' LYS . 2.1 tm-20 -125.37 113.73 17.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 175.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.99 107.82 20.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.25 0.547 . . . . 0.0 111.185 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 60.03 47.05 10.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.133 173.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 79.12 2.49 2.38 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.684 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -108.2 107.81 60.57 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.936 0.398 . . . . 0.0 111.268 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.526 ' HB3' HD13 ' A' ' 3' ' ' ILE . 8.1 Cg_exo -72.78 122.08 7.89 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.938 2.426 . . . . 0.0 111.082 174.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.55 128.72 41.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.06 130.25 71.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.087 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.603 ' HB2' ' HG3' ' A' ' 38' ' ' MET . 19.2 m -104.53 116.85 32.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.78 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 95' ' ' LEU . 5.1 mp -101.44 164.69 11.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.417 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.517 ' HE2' ' O ' ' A' ' 35' ' ' LEU . 56.1 mttm -81.45 155.22 25.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 169.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.1 m -55.6 113.7 1.56 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.044 0.45 . . . . 0.0 110.805 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.718 ' HB2' HD23 ' A' ' 56' ' ' LEU . 23.0 m -121.5 149.61 52.91 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.929 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -52.15 -47.64 25.72 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.908 2.405 . . . . 0.0 112.414 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 41.5 mt-10 -70.48 -34.99 73.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.37 -177.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.718 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -67.7 -40.16 84.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.021 0.438 . . . . 0.0 110.275 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.5 -34.38 70.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.467 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -56.81 -53.61 55.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.146 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 99.5 mt -55.84 -51.54 67.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.46 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.1 tp -66.52 -31.05 71.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 111.601 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -71.78 -38.28 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.881 0.372 . . . . 0.0 110.797 -176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.46 -45.0 7.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.684 -176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -94.11 121.28 35.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -96.05 124.9 40.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.531 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 t 68.26 -170.7 0.19 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.492 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 71.79 -39.63 0.45 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.236 1.015 . . . . 0.0 111.945 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 171.841 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -83.25 -23.36 32.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.71 62.98 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.776 0.322 . . . . 0.0 110.844 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 65.3 155.16 0.08 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.82 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HB3' ' HZ3' ' A' ' 75' ' ' LYS . 7.1 ttpm? -86.78 -24.99 24.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.088 -0.383 . . . . 0.0 111.319 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.94 172.17 10.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.129 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.8 m170 70.88 -53.15 0.67 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.372 0.669 . . . . 0.0 110.457 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -96.13 141.54 29.38 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 49' ' ' SER . 11.0 m -125.67 124.44 41.13 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.8 m -113.92 113.82 25.38 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.555 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.7 t -92.09 114.42 29.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.141 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -88.54 106.13 18.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.586 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 68.3 mt -59.23 -55.7 31.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.943 -176.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.0 t0 59.68 12.99 3.17 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.572 175.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.75 9.44 86.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.807 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -123.42 24.69 8.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.442 . . . . 0.0 110.847 -177.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -112.2 121.2 39.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -179.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 87' ' ' LEU . 2.4 Cg_endo -47.07 129.91 15.75 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.491 2.794 . . . . 0.0 113.148 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -53.43 -46.77 69.94 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.552 -173.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.5 m -72.65 -28.52 62.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.769 0.319 . . . . 0.0 111.542 -173.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.553 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.2 mm-40 -70.24 -31.83 69.41 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.726 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.2 -48.56 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -65.25 -38.91 91.81 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.076 0.465 . . . . 0.0 110.486 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -60.51 -40.39 91.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.937 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.661 ' HB3' HD22 ' A' ' 50' ' ' LEU . 81.0 mt -64.06 -38.77 92.27 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.73 -53.78 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.717 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.98 -34.39 77.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.513 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.62 -38.81 85.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.934 0.397 . . . . 0.0 110.76 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.4 m -77.36 -39.37 47.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.419 ' O ' HG23 ' A' ' 104' ' ' VAL . 51.2 t80 -65.95 -47.62 74.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.274 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -58.46 -50.16 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -62.52 -32.65 73.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.142 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.4 -37.98 77.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.781 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 100' ' ' TYR . 99.2 t -64.94 -36.56 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.46 -16.83 63.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.263 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.07 -4.75 42.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.76 0.314 . . . . 0.0 111.193 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 97.0 mt -84.54 146.39 46.98 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.675 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -72.5 168.16 25.09 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.952 2.435 . . . . 0.0 113.001 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.677 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.1 tp10 -45.27 -58.39 3.32 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.802 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -48.11 -49.17 32.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.386 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -70.97 -42.42 69.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.25 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.436 ' O ' HG22 ' A' ' 116' ' ' VAL . 55.5 mtp180 -65.35 -26.26 67.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.813 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.785 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 7.4 mmpt? -55.75 -41.47 74.0 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-O 120.976 0.417 . . . . 0.0 110.967 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.75 -45.07 72.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.534 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.08 -31.7 71.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.885 -175.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 112' ' ' ARG . 75.5 t -80.75 -34.7 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -74.3 -28.74 61.32 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.471 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.61 179.743 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.501 ' HE1' ' HB2' ' A' ' 89' ' ' ASP . 58.4 ttp . . . . . 0 N--CA 1.481 1.125 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -113.21 -177.66 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.179 0.514 . . . . 0.0 111.116 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.552 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 47.4 mm -68.74 -24.03 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.332 177.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 m -57.6 -34.59 69.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.321 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.1 -36.52 64.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.299 0.571 . . . . 0.0 110.195 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.12 -31.74 64.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.11 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 89.0 mt -55.28 -45.44 76.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.233 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -69.8 -34.36 73.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.59 -31.83 70.22 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.266 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.6 m -66.98 -19.04 65.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.546 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.569 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 3.3 mmt -78.89 -11.83 60.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.168 0.508 . . . . 0.0 109.832 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.9 -2.12 53.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.54 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -98.61 106.07 34.29 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.213 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.468 ' O ' HD22 ' A' ' 115' ' ' LEU . 19.2 Cg_endo -57.94 117.51 4.23 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.765 2.31 . . . . 0.0 113.064 -175.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 115.54 -21.96 12.33 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.05 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.39 120.02 25.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.818 0.342 . . . . 0.0 111.457 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 151.97 36.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.537 ' HG2' HG12 ' A' ' 29' ' ' ILE . 65.5 mt-30 -122.33 132.29 54.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.361 . . . . 0.0 111.402 -174.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.7 m -142.15 128.47 19.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.669 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 3.9 p -91.83 130.36 41.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.459 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 11.4 t60 -116.04 162.42 17.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -175.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -58.14 -25.84 61.93 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' OD2' ' HD2' ' A' ' 21' ' ' HIS . 16.5 m-20 -66.75 100.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.53 0.205 . . . . 0.0 110.817 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 13.1 m0 64.62 8.51 4.46 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.802 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 mttp 57.86 31.22 20.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.157 0.503 . . . . 0.0 110.418 -175.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.28 139.59 34.09 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.634 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 43.1 m -99.87 118.89 37.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.114 0.483 . . . . 0.0 109.894 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.23 135.72 37.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.646 -176.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.537 HG12 ' HG2' ' A' ' 18' ' ' GLN . 53.0 mt -108.93 113.87 45.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.708 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.84 168.51 19.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.399 -176.443 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.55 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 2.2 t -79.78 -133.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.599 ' HG3' ' H ' ' A' ' 33' ' ' ASP . 6.9 pt-20 -58.82 -63.85 1.15 Allowed 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.94 -0.475 . . . . 0.0 110.2 173.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.599 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 28.7 t70 -140.3 18.64 2.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.775 0.798 . . . . 0.0 109.887 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.3 t -98.61 101.07 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.822 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.708 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 7.8 tt -86.54 124.48 32.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.804 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -126.74 -21.25 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.692 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.478 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . . . -139.37 150.89 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 111.083 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.594 ' HG2' ' HB3' ' A' ' 49' ' ' SER . 26.8 ptm -153.88 140.82 19.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.718 177.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.67 124.12 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.279 0.562 . . . . 0.0 110.587 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' A' ' 80' ' ' THR . 9.6 ptmm? -129.85 135.29 48.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.422 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -99.89 130.62 46.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.041 0.448 . . . . 0.0 110.77 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -149.84 143.13 17.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 171.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 34.3 tt0 64.24 19.59 11.84 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -174.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 m120 65.1 18.65 11.55 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.362 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.48 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 mpt_? -112.95 133.64 21.95 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.379 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 2.8 Cg_exo -76.89 129.82 10.95 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.951 2.434 . . . . 0.0 112.119 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.48 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -122.7 142.43 50.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.831 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.04 133.58 64.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.056 0.455 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.594 ' HB3' ' HG2' ' A' ' 38' ' ' MET . 8.8 t -111.34 130.81 55.56 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 95' ' ' LEU . 5.6 mp -105.33 35.28 2.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.806 -171.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.518 ' HA ' ' CZ3' ' A' ' 78' ' ' TRP . 7.6 tmtt? 52.5 52.88 13.25 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.401 0.62 . . . . 0.0 109.89 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 m 73.7 -71.23 0.14 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.516 -177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.4 t 64.58 114.91 0.02 OUTLIER Pre-proline 0 C--O 1.234 0.287 0 O-C-N 123.832 0.707 . . . . 0.0 111.185 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 32.4 Cg_exo -60.26 -19.76 59.13 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.859 2.373 . . . . 0.0 112.299 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -77.18 -47.21 20.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.647 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.62 -35.17 70.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.155 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.33 85.96 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 54' ' ' PRO . 42.6 mm-40 -63.75 -50.9 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.1 tp -52.97 -44.23 67.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.864 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' A' ' 64' ' ' HIS . 38.5 tp -65.41 -37.65 87.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.178 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -66.14 -49.1 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.984 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -62.56 -65.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.71 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -129.2 99.13 5.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.055 0.455 . . . . 0.0 111.158 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 12.9 p-80 -105.2 58.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.57 0.7 . . . . 0.0 110.875 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 32.4 m -128.36 149.2 50.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.864 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 65' ' ' SER . 29.1 t70 73.54 -44.95 0.6 Allowed 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.712 0.632 . . . . 0.0 110.892 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 173.509 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' HB3' ' HA ' ' A' ' 75' ' ' LYS . 11.0 tpt180 . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -73.01 -30.42 63.76 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.7 mt -57.08 -71.59 0.09 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.098 0.475 . . . . 0.0 109.945 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.574 ' ND2' ' HB2' ' A' ' 77' ' ' HIS . 49.7 t30 -151.67 111.14 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 171.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 5.0 tmmm? -61.1 -35.82 78.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.424 -176.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.47 22.53 4.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.574 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 10.5 t-160 -122.61 -60.09 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.732 0.301 . . . . 0.0 110.348 176.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.518 ' CZ3' ' HA ' ' A' ' 51' ' ' LYS . 59.7 m95 -98.56 153.62 18.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.905 0.383 . . . . 0.0 110.366 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -125.33 126.35 44.93 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.48 HG22 ' HB1' ' A' ' 47' ' ' ALA . 16.4 m -123.14 122.67 39.02 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.356 -175.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.0 t -103.29 130.16 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.427 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CD2' ' HB3' ' A' ' 47' ' ' ALA . 44.5 m-85 -97.66 132.75 43.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.608 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.51 42.14 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.078 0.466 . . . . 0.0 110.9 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -88.02 70.12 9.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.271 0.558 . . . . 0.0 110.743 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.93 -35.24 1.44 Allowed Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.594 -0.73 . . . . 0.0 113.937 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.564 ' HB2' HD23 ' A' ' 87' ' ' LEU . 14.6 m -59.08 -38.27 79.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -174.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 86' ' ' SER . 3.1 mm? -100.73 118.31 60.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.608 0.242 . . . . 0.0 111.208 -173.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.75 159.17 52.57 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.906 2.404 . . . . 0.0 110.95 173.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.501 ' HB2' ' HE1' ' A' ' 1' ' ' MET . 1.2 p-10 -64.1 -30.52 71.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.519 0.199 . . . . 0.0 110.836 -174.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.5 t -63.64 -39.48 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.941 0.401 . . . . 0.0 110.466 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.49 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.5 mm-40 -69.83 -32.84 71.46 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.44 -38.81 77.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.482 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -63.39 -47.42 82.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.378 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.08 -45.59 91.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.15 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 87.5 mt -55.63 -54.74 40.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.682 0.277 . . . . 0.0 111.223 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.8 -43.79 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 33.5 t70 -68.27 -35.15 77.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.955 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.626 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -58.19 -54.71 43.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.604 178.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 p -61.1 -30.9 70.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.127 0.489 . . . . 0.0 110.715 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.447 ' O ' HG23 ' A' ' 104' ' ' VAL . 87.6 t80 -67.04 -46.02 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.329 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 33.1 mm-40 -58.62 -44.46 89.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.526 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 69.0 mt-30 -59.46 -46.97 87.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.342 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.23 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.382 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 100' ' ' TYR . 98.6 t -61.18 -39.15 81.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.927 0.394 . . . . 0.0 111.002 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -68.4 -18.61 64.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.549 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 99.2 mt -88.14 -10.4 50.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.839 0.352 . . . . 0.0 110.946 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.26 148.37 49.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.613 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.29 170.45 15.97 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.734 2.289 . . . . 0.0 112.719 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 20.3 mm-40 -49.72 -45.06 48.72 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.77 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -48.4 -51.48 26.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.712 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.63 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 12.3 mptt -73.53 -47.53 40.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 116' ' ' VAL . 21.3 mtm180 -59.12 -38.71 80.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.575 ' O ' ' HG2' ' A' ' 117' ' ' GLN . 32.6 mmtp -65.28 -46.76 79.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.82 0.343 . . . . 0.0 110.506 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.5 mt -63.66 -39.55 94.62 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.891 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 48.7 mt -62.54 -29.91 70.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.332 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 112' ' ' ARG . 61.9 t -78.75 -29.06 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.166 0.508 . . . . 0.0 110.441 177.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 26.8 mm-40 -71.96 -28.95 63.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.469 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.906 -179.714 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.672 0.272 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.1 p -91.09 169.47 10.83 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 170.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.53 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 46.0 mm -63.97 -31.69 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -61.16 -43.54 98.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.55 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.92 -38.39 90.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.812 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.29 -46.31 80.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.945 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 90.0 mt -59.7 -44.38 93.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.84 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.19 -36.59 84.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.79 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -65.06 -33.96 77.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 110.37 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.09 -25.62 62.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.577 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 20.0 mmt -73.44 -21.11 60.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.2 -23.25 51.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.142 0.496 . . . . 0.0 110.504 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -85.41 117.34 68.56 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.68 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.71 137.74 46.74 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.761 2.307 . . . . 0.0 112.205 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.23 -20.83 34.71 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.369 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.41 115.11 20.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.878 0.371 . . . . 0.0 110.04 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -118.15 148.49 42.29 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.243 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -90.94 128.16 36.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.783 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.53 ' HB2' ' HB2' ' A' ' 28' ' ' GLN . 15.5 m -113.09 142.25 45.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.34 112.23 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.751 0.786 . . . . 0.0 110.696 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -104.37 112.57 25.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.119 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.461 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 62.3 t30 -60.95 164.65 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 39.2 t70 89.74 -32.81 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.333 1.053 . . . . 0.0 109.081 -169.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -116.17 -36.98 3.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.637 170.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.8 tttm 68.44 13.86 9.04 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.607 0.718 . . . . 0.0 110.943 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.12 178.76 4.82 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.599 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 m -102.59 132.88 48.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.158 0.504 . . . . 0.0 111.942 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.703 ' HG3' ' HG3' ' A' ' 38' ' ' MET . 2.5 mp0 -105.65 142.32 35.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.466 174.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.6 mp -114.93 110.74 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -138.44 162.3 34.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.051 0.453 . . . . 0.0 111.446 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.9 -133.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -44.51 -69.94 0.12 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.397 0.435 . . . . 0.0 110.849 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -138.64 3.09 2.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.982 0.896 . . . . 0.0 109.326 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.8 t -82.88 96.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.611 -175.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.4 tp -87.74 95.35 10.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -97.55 -21.35 17.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.872 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.82 126.11 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 0.0 111.316 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.703 ' HG3' ' HG3' ' A' ' 28' ' ' GLN . 41.3 ttp -144.79 120.12 10.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.391 176.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.468 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 9.9 p -86.88 144.25 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.084 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.783 ' HB2' ' HZ2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -141.43 133.04 27.04 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -87.02 111.98 21.39 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.526 HG21 ' HG2' ' A' ' 43' ' ' GLU . 7.1 p -139.04 138.1 41.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.526 ' HG2' HG21 ' A' ' 42' ' ' VAL . 25.7 mm-40 64.46 33.64 10.91 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.414 0.626 . . . . 0.0 109.332 -174.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.0 t30 73.51 -6.2 1.82 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.155 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.571 ' HB2' ' HE2' ' A' ' 82' ' ' TYR . 4.7 mmp_? -114.18 140.24 24.73 Favored Pre-proline 0 C--N 1.323 -0.558 0 O-C-N 121.804 -0.56 . . . . 0.0 111.31 -177.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.87 117.41 5.14 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.731 2.287 . . . . 0.0 112.02 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.02 154.38 44.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.644 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -115.51 150.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.942 0.401 . . . . 0.0 110.303 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.411 ' HG ' ' HA ' ' A' ' 80' ' ' THR . 65.0 m -134.87 118.36 16.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.305 177.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.55 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 6.5 mp -94.49 144.01 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 174.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -78.61 92.17 4.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.211 0.529 . . . . 0.0 110.159 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 15.0 m 71.35 -84.41 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.212 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.458 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 60.4 p 59.1 154.68 0.09 OUTLIER Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 124.373 1.069 . . . . 0.0 112.76 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.63 -39.96 4.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.653 2.235 . . . . 0.0 112.128 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.6 -48.4 72.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.705 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.55 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 17.2 mt -66.64 -32.56 73.96 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.77 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.38 -53.36 57.17 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.5 -48.86 78.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.995 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 tp -59.8 -28.7 67.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.562 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mp -67.27 -30.83 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.406 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -75.75 -49.58 17.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.963 0.411 . . . . 0.0 110.449 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -73.35 -35.72 66.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.747 -173.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 58.67 -157.35 0.32 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.621 0.368 . . . . 0.0 110.998 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 69.24 16.54 8.45 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.122 0.569 . . . . 0.0 111.336 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 p -111.06 6.16 20.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.428 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.642 ' HB3' ' HG ' ' A' ' 86' ' ' SER . 27.0 t70 58.41 43.83 19.16 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.794 0.806 . . . . 0.0 110.203 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.534 ' HB ' HG11 ' A' ' 81' ' ' VAL . 7.5 p . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.954 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 121.18 0.514 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -68.31 -27.34 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.025 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.425 HD13 ' HE2' ' A' ' 40' ' ' LYS . 92.0 mt -102.19 -77.53 0.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.662 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.718 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 61.5 t30 -167.49 105.29 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -52.02 -54.23 32.4 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -164.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.0 10.76 38.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -168.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.452 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 29.7 m80 -139.04 -22.94 0.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.175 -0.61 . . . . 0.0 112.597 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.718 ' HD1' ' HB3' ' A' ' 74' ' ' ASN . 91.8 m95 -115.49 125.02 52.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.878 0.37 . . . . 0.0 110.131 173.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.5 p -125.39 139.02 54.02 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.04 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.411 ' HA ' ' HG ' ' A' ' 49' ' ' SER . 48.1 m -102.05 114.21 28.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.534 HG11 ' HB ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.69 133.33 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' HE2' ' HB2' ' A' ' 45' ' ' ARG . 31.2 m-85 -88.07 115.42 25.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.034 0.445 . . . . 0.0 112.041 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.638 HD21 HG12 ' A' ' 92' ' ' ILE . 94.2 mt -69.25 -31.72 70.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.692 175.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.415 ' OD2' ' HD3' ' A' ' 45' ' ' ARG . 32.4 t70 -85.03 77.16 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.897 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.05 -63.22 0.62 Allowed Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.877 175.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.642 ' HG ' ' HB3' ' A' ' 66' ' ' ASP . 34.7 m -69.62 -50.55 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.801 0.334 . . . . 0.0 111.877 -174.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.427 HD23 ' CG1' ' A' ' 81' ' ' VAL . 3.6 mm? -93.18 135.19 25.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.242 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.445 ' HD2' ' HG3' ' A' ' 91' ' ' GLN . 16.9 Cg_exo -68.64 149.15 73.48 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.529 2.153 . . . . 0.0 110.581 168.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.41 -28.74 65.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.152 0.501 . . . . 0.0 111.547 -176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 p -69.59 -30.04 67.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.902 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.445 ' HG3' ' HD2' ' A' ' 88' ' ' PRO . 78.3 mm-40 -70.69 -31.72 68.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.412 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.638 HG12 HD21 ' A' ' 83' ' ' LEU . 51.6 mt -53.55 -40.29 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.623 -175.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -56.79 -48.87 76.94 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 111.206 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -73.03 -35.84 66.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.97 -173.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.3 mt -58.18 -45.42 87.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.967 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.55 -43.66 77.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.26 -41.01 97.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.394 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.02 -41.79 73.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.352 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.46 ' HB2' HD21 ' A' ' 50' ' ' LEU . 8.4 t -68.87 -28.3 66.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.15 0.5 . . . . 0.0 109.924 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.447 ' O ' HG22 ' A' ' 104' ' ' VAL . 58.9 t80 -72.08 -36.76 69.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.272 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -54.07 50.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.193 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.458 ' OE1' ' HA ' ' A' ' 53' ' ' SER . 10.0 pt20 -60.11 -32.88 71.4 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -65.16 -42.5 93.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.968 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 100' ' ' TYR . 57.3 t -63.12 -36.27 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -68.92 -16.43 63.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.781 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 97.1 mt -97.83 -7.46 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 92.3 mt -84.3 148.33 52.54 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.066 -176.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.418 ' HG2' ' HB2' ' A' ' 111' ' ' LYS . 25.7 Cg_endo -62.14 163.29 20.3 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.065 2.51 . . . . 0.0 112.772 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.4 tp10 -57.53 -46.79 83.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.525 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -58.54 -44.5 89.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.385 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 0.5 OUTLIER -74.07 -34.84 64.17 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.354 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 112' ' ' ARG . 45.6 mtp180 -59.52 -33.99 72.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.631 0.253 . . . . 0.0 110.96 178.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 74.8 mmtt -63.81 -38.54 91.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.152 0.501 . . . . 0.0 110.642 177.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 70.3 mt -70.74 -39.94 73.04 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.502 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 65.6 mt -60.29 -34.39 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.84 -37.97 70.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.923 0.392 . . . . 0.0 110.401 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -46.18 84.39 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.387 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.9 mt . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.183 -174.828 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.689 0.281 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 p -98.42 168.31 10.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.802 0.334 . . . . 0.0 111.179 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.62 -42.14 93.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.47 -177.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 p -62.96 -39.56 95.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.564 -176.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.57 -40.64 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.05 0.452 . . . . 0.0 110.358 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.747 HD13 HG23 ' A' ' 96' ' ' VAL . 31.8 tp -65.13 -44.49 88.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.204 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.05 -38.04 87.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.968 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -62.36 -43.1 99.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.903 0.382 . . . . 0.0 110.384 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -65.44 -34.09 77.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.845 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.16 -26.08 61.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.517 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 1.4 mmt -76.66 -12.71 60.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 110.708 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.65 7.33 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.27 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 75.2 mmtt -109.81 107.11 58.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.655 177.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 15.4 Cg_endo -57.78 132.47 50.18 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.692 2.261 . . . . 0.0 112.208 -178.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.01 -27.37 19.74 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.025 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.61 131.61 37.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.91 0.386 . . . . 0.0 110.663 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -122.29 150.91 41.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.77 122.08 32.52 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.674 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 m -121.91 104.56 9.63 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.4 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -98.87 120.77 48.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.319 0.58 . . . . 0.0 110.466 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' A' ' 23' ' ' ASP . 47.3 m-70 -116.05 137.11 52.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.773 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -71.96 16.21 0.13 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 21' ' ' HIS . 19.2 t70 -61.76 -58.4 8.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.383 0.611 . . . . 0.0 109.731 172.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -121.85 2.79 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.877 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt 60.97 23.88 14.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.396 -169.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -86.85 157.16 19.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.72 -177.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 m -91.82 117.37 29.71 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.604 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -100.39 121.05 40.89 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.9 mt -103.6 115.39 45.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.3 -175.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -129.45 158.39 39.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.324 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.709 HG12 HD12 ' A' ' 107' ' ' LEU . 2.1 t -88.39 -134.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.447 ' HG3' ' HG2' ' A' ' 111' ' ' LYS . 5.8 mm-40 -55.6 -67.15 0.31 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.107 0.48 . . . . 0.0 110.458 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -134.56 5.49 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.722 0.772 . . . . 0.0 109.878 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 47.1 t -97.47 107.92 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.871 -176.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt -95.89 105.91 17.99 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 173.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -94.04 -34.87 12.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.595 -176.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.68 139.44 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.82 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -136.86 133.73 36.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.919 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.543 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 13.2 m -85.0 98.17 6.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.458 0.647 . . . . 0.0 111.074 -177.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -93.33 104.92 17.05 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.549 ' OE2' ' HA ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -88.44 136.87 32.78 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.326 -172.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.6 p -134.19 121.53 38.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.498 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HG3' HG22 ' A' ' 42' ' ' VAL . 43.0 mt-10 63.28 29.54 15.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.12 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.549 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 2.2 t-20 66.86 22.64 10.16 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.757 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.492 ' HD2' ' HB2' ' A' ' 84' ' ' ASP . 23.9 mmt180 -99.58 127.67 33.52 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.371 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.35 109.92 0.81 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.7 2.267 . . . . 0.0 112.155 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.06 125.22 20.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.23 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 6.4 p -116.48 128.9 73.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.971 0.415 . . . . 0.0 110.627 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 20.3 m -96.85 113.96 25.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.635 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.74 153.34 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.882 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' A' ' 51' ' ' LYS . 1.8 ttpm? -93.4 27.63 2.51 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 175.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 m 73.07 126.88 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.951 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.464 ' H ' ' HB3' ' A' ' 56' ' ' LEU . 49.3 m -120.64 162.5 34.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.194 177.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.425 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . 60.6 Cg_exo -52.04 -64.13 0.21 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 122.555 2.17 . . . . 0.0 113.068 -177.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' OE1' ' HB2' ' A' ' 54' ' ' PRO . 3.4 mp0 -62.83 -29.91 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.205 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.464 ' HB3' ' H ' ' A' ' 53' ' ' SER . 3.4 tm? -63.25 -43.7 97.28 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.53 81.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.477 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.7 -51.8 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.642 0.734 . . . . 0.0 109.302 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 64' ' ' HIS . 48.8 tp -59.05 -38.2 78.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.231 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.1 tp -66.52 -39.91 88.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.454 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -68.03 -49.25 62.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.31 -16.48 39.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.353 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 55.29 55.7 7.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.615 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.517 ' HB2' HD12 ' A' ' 59' ' ' LEU . 24.6 m80 -78.37 -12.04 59.98 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.415 0.626 . . . . 0.0 109.932 175.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.9 m -148.16 136.67 21.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.344 173.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.07 114.09 19.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.169 0.509 . . . . 0.0 111.392 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.503 HG23 ' HA ' ' A' ' 81' ' ' VAL . 11.2 p . . . . . 0 C--N 1.32 -0.696 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.094 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.446 ' H ' ' HB3' ' A' ' 75' ' ' LYS . 4.9 tpt180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -66.65 -22.06 66.1 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.403 0.44 . . . . 0.0 111.232 -175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.7 mt -66.99 -77.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.365 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -163.26 95.17 0.84 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HB3' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -67.53 -22.42 65.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.027 -176.028 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.36 4.91 41.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -174.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -145.67 -40.69 0.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.344 . . . . 0.0 111.009 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -100.25 135.02 42.32 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 m -124.95 126.45 45.5 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.057 0.456 . . . . 0.0 109.805 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 50.5 m -105.14 122.49 46.02 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.176 -177.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.503 ' HA ' HG23 ' A' ' 67' ' ' VAL . 48.0 t -85.67 111.39 20.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.867 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -88.47 98.17 11.48 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.69 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.98 36.95 2.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.076 0.465 . . . . 0.0 110.751 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.492 ' HB2' ' HD2' ' A' ' 45' ' ' ARG . 4.8 p-10 -78.18 -27.36 47.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.083 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -151.4 27.08 0.97 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.998 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.6 t -165.84 -167.92 1.19 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.419 ' HG ' ' CG1' ' A' ' 81' ' ' VAL . 3.7 mm? 62.94 98.02 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.282 0 O-C-N 123.773 0.671 . . . . 0.0 111.648 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.0 153.18 65.86 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.705 2.27 . . . . 0.0 112.004 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.55 -46.55 86.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.527 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.3 m -63.32 -31.1 72.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.112 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.483 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 6.5 tp60 -68.79 -44.83 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.45 -43.51 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.056 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -50.32 -43.9 53.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.213 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -68.26 -43.45 77.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.322 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 97.1 mt -72.16 -39.52 68.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -174.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.747 HG23 HD13 ' A' ' 6' ' ' LEU . 92.3 t -63.53 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.327 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -32.12 72.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.74 70.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.349 0.595 . . . . 0.0 110.342 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.1 m -73.94 -34.49 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.344 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.409 ' O ' HG22 ' A' ' 104' ' ' VAL . 66.4 t80 -73.34 -35.84 66.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.119 174.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -53.49 -52.44 59.55 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.138 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.435 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 8.7 pt20 -60.69 -33.73 73.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -65.18 -40.28 94.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.65 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 100' ' ' TYR . 52.2 t -64.76 -31.09 52.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.243 0.544 . . . . 0.0 110.702 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -76.86 -24.43 52.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 97.7 mt -86.39 -13.24 46.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.709 HD12 HG12 ' A' ' 31' ' ' VAL . 93.2 mt -82.93 136.14 44.56 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.649 178.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.618 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 23.8 Cg_exo -64.81 170.94 9.3 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.845 2.364 . . . . 0.0 112.267 177.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 6.3 tp10 -55.38 -45.76 76.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.986 -177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -48.09 -49.96 29.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.625 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.618 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 4.3 mptp? -68.67 -47.08 67.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.556 -177.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.56 ' O ' HG22 ' A' ' 116' ' ' VAL . 35.8 mtp85 -59.26 -39.43 82.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.879 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.798 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 9.8 mmpt? -60.61 -34.59 74.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 111.271 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.43 -43.51 66.6 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.77 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 81.3 mt -62.94 -27.81 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.827 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 112' ' ' ARG . 87.1 t -59.66 -38.25 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 111.285 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.624 HE21 ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -75.41 -28.15 59.3 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.027 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.606 -0.711 . . . . 0.0 111.316 -174.563 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.692 0.282 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.0 162.97 16.93 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mm -57.77 -36.9 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.302 . . . . 0.0 110.99 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 m -60.07 -53.87 52.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.688 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.38 -41.09 96.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.738 0.304 . . . . 0.0 110.701 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.63 -49.85 75.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.041 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.36 -47.37 86.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.218 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.64 -41.6 95.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.051 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -64.28 -42.13 96.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.028 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.8 m -61.67 -46.81 88.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.208 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.8 ttt -71.12 -19.27 62.47 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.061 0.458 . . . . 0.0 110.824 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.67 -12.59 59.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 11.2 mmmm -88.87 121.72 69.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_exo -52.53 130.17 35.26 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.207 2.605 . . . . 0.0 113.272 -174.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 104.82 -10.97 49.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.945 175.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.21 104.64 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.955 0.407 . . . . 0.0 111.764 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.63 124.89 50.28 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 173.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -91.95 120.69 32.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.055 0.455 . . . . 0.0 111.878 -173.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 m -116.88 117.29 29.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.502 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -93.7 121.49 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.676 0.751 . . . . 0.0 112.229 -175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.487 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 12.0 t60 -85.91 122.9 30.62 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 170.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.451 ' CG ' ' H ' ' A' ' 23' ' ' ASP . 53.3 t30 -74.33 -152.7 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.461 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.451 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 22.6 t70 74.58 -68.88 0.2 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.255 0.622 . . . . 0.0 111.044 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.497 ' HZ3' ' HE1' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -113.53 2.13 15.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.217 177.457 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 64.5 87.97 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.641 0.734 . . . . 0.0 110.758 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.775 ' HB1' ' HG2' ' A' ' 40' ' ' LYS . . . -124.47 107.36 11.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.404 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' MET . 19.4 m -83.28 116.31 22.37 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.484 ' HB3' HD12 ' A' ' 35' ' ' LEU . 77.6 mt-30 -91.48 120.39 32.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.095 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.5 mt -91.17 107.83 19.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' A' ' 33' ' ' ASP . 23.8 ttpt -140.29 145.4 37.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.039 -168.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.493 HG21 ' HB ' ' A' ' 34' ' ' VAL . 16.1 m -79.89 -137.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 171.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -52.02 -59.8 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 110.326 174.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.526 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 16.9 t70 -159.74 73.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.152 0.501 . . . . 0.0 110.21 170.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.493 ' HB ' HG21 ' A' ' 31' ' ' VAL . 95.0 t -148.4 116.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.053 176.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 38' ' ' MET . 38.1 tp -97.83 108.99 21.83 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -106.89 -22.58 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.512 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 49' ' ' SER . . . -163.79 145.08 8.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.235 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.56 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -157.74 138.43 13.04 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.01 0.433 . . . . 0.0 111.448 178.329 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -90.2 135.26 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.813 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.775 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 22.0 mtmm -139.8 148.12 41.73 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -176.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 18.3 tt0 -99.08 110.22 22.84 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.428 HG23 ' HG3' ' A' ' 43' ' ' GLU . 3.8 p -142.97 142.48 26.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HG3' HG23 ' A' ' 42' ' ' VAL . 54.2 mt-10 62.07 26.23 15.78 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -172.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 55.08 36.34 26.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.929 -174.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.446 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 7.5 ttt85 -137.85 135.67 19.1 Favored Pre-proline 0 N--CA 1.449 -0.514 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.086 -175.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 16.8 Cg_exo -67.25 111.35 2.24 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.573 2.182 . . . . 0.0 111.376 177.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.519 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . . . -125.42 132.81 52.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.21 0.529 . . . . 0.0 112.011 -176.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.45 134.39 58.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.499 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 23.6 m -118.73 136.93 53.69 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.877 -176.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.31 143.89 32.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.37 140.97 56.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 169.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.3 m -41.5 104.93 0.04 OUTLIER 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.821 0.701 . . . . 0.0 112.498 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.58 ' HB3' HD22 ' A' ' 56' ' ' LEU . 33.0 t -108.54 145.41 31.54 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.182 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -51.61 -58.83 1.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.921 2.414 . . . . 0.0 112.436 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.0 -30.37 70.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.318 -175.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 53' ' ' SER . 4.4 mm? -67.93 -43.28 79.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 110.478 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -71.01 -33.5 70.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 0.0 110.548 177.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -43.81 95.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.651 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.02 -40.49 93.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.673 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 57' ' ' ALA . 84.4 mt -60.87 -30.5 70.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.925 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HA ' ' HD3' ' A' ' 61' ' ' ARG . 18.2 mmt180 -76.25 -30.92 58.05 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -176.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.03 -48.75 6.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.723 0.297 . . . . 0.0 111.356 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -92.91 155.89 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.454 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -161.94 3.73 0.05 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 p -122.24 15.74 10.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.075 0.464 . . . . 0.0 111.108 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.12 -61.39 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.346 -177.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.357 0.599 . . . . 0.0 110.464 175.584 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 71' ' ' ARG . 13.3 ttm180 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.497 ' HE1' ' HZ3' ' A' ' 24' ' ' TRP . 33.8 p80 -96.61 -15.71 21.39 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.67 -77.67 0.04 OUTLIER 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.657 0.265 . . . . 0.0 110.788 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -164.31 143.41 7.44 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -87.12 -40.39 14.69 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.38 -28.3 5.03 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -170.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -73.71 -19.18 60.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.917 0.389 . . . . 0.0 110.247 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -137.81 161.04 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.068 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.484 ' O ' ' HA ' ' A' ' 49' ' ' SER . 11.9 m -125.66 125.71 43.52 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 170.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.1 m -116.44 116.84 28.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.027 0.441 . . . . 0.0 112.126 -168.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.5 t -104.42 119.45 53.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.901 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 86.9 m-85 -88.19 135.59 33.37 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.0 mt -79.69 76.46 6.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.111 0.481 . . . . 0.0 110.706 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.38 -89.52 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.857 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.6 38.15 0.62 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.96 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.3 t -145.8 -168.77 3.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 3.9 mm? 57.55 91.58 0.07 OUTLIER Pre-proline 0 CA--C 1.527 0.085 0 O-C-N 123.829 0.706 . . . . 0.0 110.998 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.423 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 19.1 Cg_endo -58.74 158.48 24.06 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.643 2.228 . . . . 0.0 112.622 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.453 ' HA ' HD13 ' A' ' 92' ' ' ILE . 2.2 m-20 -52.17 -33.88 42.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.371 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 p -58.31 -46.67 85.73 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.378 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.4 mm-40 -66.98 -34.11 77.04 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.934 0.397 . . . . 0.0 110.5 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 89' ' ' ASP . 68.4 mt -62.67 -38.35 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.704 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -58.24 -46.08 86.6 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -58.86 -49.82 76.31 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.679 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 96.3 mt -53.3 -48.25 68.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.678 -176.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -74.07 -43.11 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -74.44 -37.42 63.28 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.086 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.95 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.623 0.249 . . . . 0.0 111.265 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.717 ' HA ' HE21 ' A' ' 102' ' ' GLN . 19.0 p -66.85 -35.41 79.98 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.471 ' O ' HG22 ' A' ' 104' ' ' VAL . 51.6 t80 -61.54 -47.05 87.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.423 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -34.7 73.13 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.113 176.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.717 HE21 ' HA ' ' A' ' 99' ' ' SER . 43.0 mt-30 -58.02 -37.33 74.12 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.156 0.285 . . . . 0.0 110.74 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -75.96 -44.91 37.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.745 0.307 . . . . 0.0 110.747 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 100' ' ' TYR . 95.7 t -55.85 -44.55 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.338 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.12 -16.35 59.21 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.248 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 71.1 mt -86.42 -18.43 31.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.674 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.63 ' HB3' ' HB3' ' A' ' 111' ' ' LYS . 91.7 mt -76.74 140.67 67.76 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.607 ' HD2' ' HB2' ' A' ' 111' ' ' LYS . 8.2 Cg_exo -72.96 175.89 9.81 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.005 2.47 . . . . 0.0 112.469 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -51.74 -52.97 44.59 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.857 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.434 ' CD ' ' HZ1' ' A' ' 111' ' ' LYS . 3.5 tm-20 -55.93 -45.98 78.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.237 -178.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.63 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -64.7 -38.97 92.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.274 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 116' ' ' VAL . 69.1 mtp180 -70.82 -27.06 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.37 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 36.0 mmtm -62.47 -37.75 87.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.846 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 87.3 mt -61.49 -41.18 96.89 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.755 177.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.432 HD13 HD12 ' A' ' 107' ' ' LEU . 75.0 mt -65.51 -27.22 68.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.225 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 112' ' ' ARG . 64.0 t -79.69 -36.46 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.601 178.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -72.3 -40.5 67.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.233 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 96.8 mt . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.626 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.8 p -82.32 145.44 29.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.053 0.454 . . . . 0.0 111.897 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 mm -65.47 -28.3 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.299 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 t -57.44 -40.75 79.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.025 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -67.06 -40.01 87.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.476 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.88 -47.32 81.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.062 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.26 -43.83 95.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.315 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -66.53 -34.51 78.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.861 0.363 . . . . 0.0 110.556 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.597 ' HH ' ' HB2' ' A' ' 97' ' ' ASP . 35.8 t80 -64.76 -32.52 74.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 177.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.3 m -72.64 -40.18 66.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.387 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.541 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 2.3 mmt -67.28 -20.07 65.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.34 -7.1 56.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.021 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -93.98 114.39 63.04 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.693 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.2 105.87 0.75 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.725 2.283 . . . . 0.0 112.846 -176.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.4 -21.42 5.72 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.402 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.73 130.08 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.17 0.509 . . . . 0.0 111.595 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.1 124.67 46.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.397 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -105.99 120.61 42.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.967 0.413 . . . . 0.0 110.764 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -121.79 117.17 25.9 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.581 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -81.96 132.15 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.476 . . . . 0.0 110.349 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 117.46 29.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.747 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -60.95 -29.87 69.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.217 0.323 . . . . 0.0 111.559 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -80.41 -4.13 52.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.786 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -130.82 -17.33 3.19 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 60.66 29.09 18.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.464 0.65 . . . . 0.0 110.195 -174.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.768 ' HB2' ' HA ' ' A' ' 40' ' ' LYS . . . -122.74 151.6 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.777 -175.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.0 m -98.48 118.27 34.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.206 0.527 . . . . 0.0 111.654 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -100.08 128.7 46.12 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.9 mt -104.2 116.59 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.994 -171.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 33' ' ' ASP . 7.3 ptpt -120.83 169.67 10.21 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.224 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.783 HG12 HD11 ' A' ' 107' ' ' LEU . 2.3 t -89.75 -133.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 168.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.81 88.26 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.064 0.459 . . . . 0.0 109.994 172.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 32.5 t70 -154.62 -14.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.91 172.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.29 118.06 16.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.877 0.37 . . . . 0.0 110.989 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.9 tp -91.4 112.38 24.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.948 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.426 ' HA ' ' HZ1' ' A' ' 51' ' ' LYS . 33.4 p90 -100.56 -45.34 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.413 -178.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.34 162.89 39.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.675 0.274 . . . . 0.0 110.598 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.434 ' SD ' ' HD2' ' A' ' 40' ' ' LYS . 21.3 ptt? -156.73 130.89 8.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.714 0.292 . . . . 0.0 111.158 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 5.5 p -90.41 116.86 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.768 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 40.0 mtpt -138.96 111.23 7.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.824 0.345 . . . . 0.0 110.642 -173.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.507 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -75.75 112.7 12.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.21 0.529 . . . . 0.0 110.541 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.69 132.01 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 68.51 23.27 7.43 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.268 0.556 . . . . 0.0 109.627 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 t30 61.46 29.18 18.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.977 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -114.11 114.0 46.23 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.778 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.637 ' HD2' ' HB2' ' A' ' 84' ' ' ASP . 50.1 Cg_exo -54.02 122.58 11.66 Favored 'Trans proline' 0 C--O 1.239 0.532 0 C-N-CA 123.27 2.647 . . . . 0.0 112.787 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.447 ' HB2' HG23 ' A' ' 80' ' ' THR . . . -163.33 141.46 7.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.174 0.511 . . . . 0.0 111.701 -176.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 7.7 p -115.03 135.2 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.285 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 m -102.83 116.13 31.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.978 0.418 . . . . 0.0 111.253 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 50' ' ' LEU . 5.9 mp -103.37 165.44 11.03 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 174.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HZ1' ' HA ' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -91.09 -171.57 3.03 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 171.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.7 m -61.29 98.0 0.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.374 0.607 . . . . 0.0 111.484 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . 22.6 t -110.24 140.79 22.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.382 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.42 -65.75 0.14 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 123.456 2.77 . . . . 0.0 113.665 -173.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.27 -30.5 70.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.571 0.224 . . . . 0.0 111.597 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 4.2 mm? -67.52 -50.53 58.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 0.0 110.497 177.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.26 -43.23 87.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.01 -39.93 72.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.55 -52.25 64.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.801 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.7 -29.16 62.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.64 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -65.26 -43.48 91.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.809 0.337 . . . . 0.0 110.733 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -85.67 -49.33 8.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.787 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -106.15 89.6 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.176 0.512 . . . . 0.0 110.724 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -87.57 77.19 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.077 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -145.6 156.39 43.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.927 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.0 t70 74.43 -55.63 0.65 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.079 0.952 . . . . 0.0 112.901 171.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.329 -0.324 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.376 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.072 0.463 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.687 ' HE1' HG21 ' A' ' 80' ' ' THR . 21.1 m80 -96.51 -49.38 5.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.213 0.53 . . . . 0.0 109.657 170.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.48 -62.7 0.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.582 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.63 HD22 ' HB2' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -108.78 156.32 19.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.332 176.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -82.92 -32.09 27.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.101 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.94 94.7 2.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.113 0.482 . . . . 0.0 111.952 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.436 ' HB3' ' OD1' ' A' ' 74' ' ' ASN . 11.4 t-80 -177.67 -56.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 172.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.63 ' HB2' HD22 ' A' ' 74' ' ' ASN . 55.3 m95 -80.06 150.66 30.25 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 161.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -125.95 126.2 43.96 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.687 HG21 ' HE1' ' A' ' 72' ' ' HIS . 54.0 m -109.93 124.34 51.21 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.233 0.54 . . . . 0.0 111.404 -174.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.42 108.52 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.448 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -64.67 102.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.734 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.73 -22.55 66.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.322 0.582 . . . . 0.0 109.84 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.637 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 12.5 t70 -58.72 -27.64 65.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.36 174.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.44 -12.02 60.54 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.448 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.7 m 67.56 86.91 0.13 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.281 0.563 . . . . 0.0 111.208 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.58 152.15 38.35 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.685 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.57 144.56 41.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.677 2.251 . . . . 0.0 112.165 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -60.39 -33.18 72.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.274 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.0 m -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.518 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.481 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 15.3 mm-40 -66.48 -34.7 78.52 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.888 0.375 . . . . 0.0 110.941 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.87 -39.46 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -57.14 -42.97 81.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.204 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -67.61 -51.21 52.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.979 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 91.6 mt -53.56 -47.31 70.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.953 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.7 t -72.62 -47.8 49.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.392 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.597 ' HB2' ' HH ' ' A' ' 9' ' ' TYR . 30.9 t70 -68.12 -44.25 76.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.485 -173.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.39 90.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.934 0.397 . . . . 0.0 111.305 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.9 m -69.14 -39.0 79.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.447 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.501 ' O ' HG22 ' A' ' 104' ' ' VAL . 41.8 t80 -71.6 -38.5 70.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -42.9 79.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.195 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.488 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 49.5 mt-30 -59.0 -42.07 89.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.8 79.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.124 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 100' ' ' TYR . 94.6 t -61.81 -39.49 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.3 -16.87 61.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.901 0.381 . . . . 0.0 111.058 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 91.8 mt -84.19 -11.41 56.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 0.0 110.601 177.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.783 HD11 HG12 ' A' ' 31' ' ' VAL . 98.1 mt -93.78 145.81 30.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.766 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 16.4 Cg_exo -68.28 155.61 68.7 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 123.004 2.47 . . . . 0.0 112.328 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 6.2 tp10 -49.1 -55.37 12.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.643 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -49.27 -50.21 39.93 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.902 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.21 -41.82 99.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.453 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.456 ' O ' HG22 ' A' ' 116' ' ' VAL . 21.8 mtm180 -64.87 -37.71 88.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 43.5 mtpt -65.14 -30.61 71.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.837 0.351 . . . . 0.0 110.778 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.03 -41.01 91.49 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.258 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.46 -30.57 71.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.886 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 112' ' ' ARG . 60.0 t -62.82 -29.28 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.227 0.537 . . . . 0.0 111.065 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -73.96 -25.76 60.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.711 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.877 -178.719 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttp . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -116.49 171.18 8.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.918 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 tt -70.44 -21.63 23.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.136 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -58.23 -35.52 71.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 0.0 110.666 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -73.32 -30.57 63.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.515 ' HG ' HG22 ' A' ' 92' ' ' ILE . 2.9 mm? -73.7 -30.92 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.598 176.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -43.81 78.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.102 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -63.05 -33.27 75.08 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -73.12 -32.74 65.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.986 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.4 m -60.37 -33.11 71.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.009 0.433 . . . . 0.0 110.759 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.601 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 14.4 mmt -76.53 -7.8 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.77 -12.11 49.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.971 0.415 . . . . 0.0 110.33 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -86.29 118.33 70.17 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.804 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.31 137.43 40.03 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.521 2.147 . . . . 0.0 112.186 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.28 -21.39 38.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.757 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.91 115.22 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.698 0.285 . . . . 0.0 110.785 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -119.79 165.32 14.72 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.283 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.554 ' HG2' HG12 ' A' ' 29' ' ' ILE . 20.0 mt-30 -107.99 142.25 38.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.8 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -131.54 127.45 37.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.753 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.1 p -104.51 140.63 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.864 0.364 . . . . 0.0 110.449 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -119.36 136.23 54.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -77.14 95.96 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.164 -173.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -168.87 -69.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.53 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -92.53 -8.83 43.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.839 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.6 tttt 62.93 25.4 15.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 122.045 0.926 . . . . 0.0 108.951 -170.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.71 136.97 56.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.094 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.8 m -98.0 117.13 31.65 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -108.77 115.74 30.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.472 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.554 HG12 ' HG2' ' A' ' 18' ' ' GLN . 31.7 mt -95.48 119.36 43.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.808 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -142.28 169.1 18.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.046 0.451 . . . . 0.0 110.987 -175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.51 -133.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -52.39 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.909 0.385 . . . . 0.0 110.217 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -142.2 14.0 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.289 0.566 . . . . 0.0 109.591 170.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.0 t -88.72 104.05 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.39 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.605 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 55.5 tp -84.64 127.54 34.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.082 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -118.06 -26.27 6.44 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.563 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.4 145.71 19.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.904 0.383 . . . . 0.0 111.162 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -149.31 137.44 20.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.255 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.3 p -111.74 140.2 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.086 0.469 . . . . 0.0 111.434 -174.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -141.8 134.28 28.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.452 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.56 111.04 19.16 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.474 170.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.538 HG21 ' HG2' ' A' ' 43' ' ' GLU . 7.7 p -126.26 133.47 68.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.534 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.538 ' HG2' HG21 ' A' ' 42' ' ' VAL . 30.6 mm-40 62.44 19.91 11.5 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.401 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 68.08 29.27 6.37 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.816 -175.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -119.04 130.72 24.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.526 172.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.4 107.76 1.66 Allowed 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.331 2.02 . . . . 0.0 111.047 174.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.59 126.6 48.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.129 0.49 . . . . 0.0 111.466 -174.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -115.08 138.45 45.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 79' ' ' SER . 2.7 p -110.71 122.65 48.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.886 0.374 . . . . 0.0 111.224 -178.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.11 160.33 14.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.947 176.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.605 ' HE3' ' O ' ' A' ' 35' ' ' LEU . 94.9 mttt -70.08 -61.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 170.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.9 t -174.74 156.21 2.27 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.15 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.638 ' HB2' HD23 ' A' ' 56' ' ' LEU . 44.8 m -155.08 146.46 16.78 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 176.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.53 -48.16 22.65 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.759 2.306 . . . . 0.0 112.739 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.8 mt-10 -75.25 -29.87 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.385 -178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.638 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -64.96 -46.59 80.9 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.683 0.278 . . . . 0.0 110.535 176.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.44 70.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.069 0.461 . . . . 0.0 110.555 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.27 -51.67 65.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.867 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 92.8 mt -54.97 -40.19 69.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.511 178.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.47 -30.25 70.48 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 111.406 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -77.1 -32.88 56.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -91.8 -76.56 0.45 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -69.8 144.07 52.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -155.75 20.02 0.39 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.834 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 p -101.58 -51.63 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.942 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.67 -61.87 1.55 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.325 177.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 120.998 0.428 . . . . 0.0 110.71 176.258 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.638 ' HE ' ' HA ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 121.265 0.555 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 11.0 t-80 -68.63 -16.14 63.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.727 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.43 -179.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 110.992 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -74.22 92.85 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -69.81 -24.08 63.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.28 19.56 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.403 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -147.44 -32.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.108 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -120.15 149.45 42.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' A' ' 49' ' ' SER . 15.5 m -125.83 126.17 44.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.982 0.42 . . . . 0.0 109.954 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -110.39 118.28 35.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.3 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 t -105.08 129.13 58.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.505 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.468 ' HE1' HG13 ' A' ' 42' ' ' VAL . 98.8 m-85 -86.0 111.27 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.91 176.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.508 HD21 HG12 ' A' ' 92' ' ' ILE . 92.7 mt -96.76 48.82 1.07 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.018 0.437 . . . . 0.0 111.025 -175.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -100.22 68.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 0.0 110.673 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.72 -8.39 28.59 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.525 -0.761 . . . . 0.0 113.529 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 p -77.34 -46.49 22.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 87' ' ' LEU . 4.0 mm? -89.39 142.14 29.47 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.826 -177.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 60.2 Cg_endo -73.87 164.64 34.1 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.635 2.223 . . . . 0.0 112.263 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.9 -47.49 67.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.444 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m -62.37 -33.68 75.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.856 -172.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.598 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 15.8 mm100 -70.63 -39.44 73.68 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.835 0.35 . . . . 0.0 110.516 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.515 HG22 ' HG ' ' A' ' 6' ' ' LEU . 61.9 mt -65.89 -41.21 89.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.763 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -61.16 -43.16 99.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.411 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -58.6 -43.44 89.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.252 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 78.9 mt -55.46 -45.01 76.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.505 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -77.26 -50.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.525 -176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.12 -42.99 83.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.537 -173.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.0 -45.29 82.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.676 0.274 . . . . 0.0 111.544 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.554 ' HA ' HE21 ' A' ' 102' ' ' GLN . 35.3 m -61.37 -42.02 98.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.489 ' O ' HG23 ' A' ' 104' ' ' VAL . 76.2 t80 -65.92 -46.57 77.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.852 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -54.35 47.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -175.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.554 HE21 ' HA ' ' A' ' 99' ' ' SER . 26.4 pt20 -63.14 -32.75 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -175.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.94 78.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 100' ' ' TYR . 93.9 t -66.56 -36.77 78.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.855 179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.23 -22.14 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 93.3 mt -87.26 -5.42 58.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.476 -176.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.49 148.96 56.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.065 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.456 ' HG2' ' HG2' ' A' ' 111' ' ' LYS . 41.7 Cg_endo -68.81 173.89 9.45 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 123.0 2.467 . . . . 0.0 113.687 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -49.66 -52.03 33.77 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.754 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -54.32 -52.94 59.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.373 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.456 ' HG2' ' HG2' ' A' ' 108' ' ' PRO . 29.4 mmmt -66.53 -50.67 62.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.007 -176.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.53 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.1 OUTLIER -49.91 -41.69 46.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.122 178.153 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -54.26 -51.99 62.8 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.454 0.471 . . . . 0.0 111.31 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.46 -41.07 98.49 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.143 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.408 HD13 HG13 ' A' ' 104' ' ' VAL . 92.1 mt -64.49 -26.19 68.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.537 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 112' ' ' ARG . 94.3 t -77.93 -38.82 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.605 0.24 . . . . 0.0 110.436 177.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.68 -48.59 78.64 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.796 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.769 -0.634 . . . . 0.0 111.171 -173.849 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 121.048 0.451 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.1 158.15 15.59 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.126 -175.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.411 HD12 ' HB3' ' A' ' 46' ' ' PRO . 40.7 mm -61.87 -35.39 67.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.225 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 m -57.1 -39.48 75.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.061 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -69.88 -43.34 72.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.448 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.33 -39.34 92.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.055 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.78 -51.1 70.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.094 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -63.88 -31.52 72.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.851 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -64.02 -35.69 81.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.262 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.2 m -73.26 -37.23 66.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.501 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -72.38 -9.18 58.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 178.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.89 -3.75 58.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.052 0.453 . . . . 0.0 110.436 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 69.3 mmtt -100.13 123.1 48.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.96 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 22.5 Cg_exo -64.89 130.0 24.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.282 . . . . 0.0 112.384 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.88 -16.43 58.5 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.085 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.07 139.53 30.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -144.01 165.41 27.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.311 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -90.08 149.58 22.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.294 0.569 . . . . 0.0 111.874 -174.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.654 ' HB2' ' HB2' ' A' ' 28' ' ' GLN . 37.6 m -145.58 160.32 41.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.676 172.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 12.6 p -150.78 149.26 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.05 0.453 . . . . 0.0 111.408 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -135.73 143.69 45.48 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.83 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -81.95 116.51 21.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.218 0.532 . . . . 0.0 112.071 -174.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 179.63 -65.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.363 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -128.51 20.26 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.17 176.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.8 tttt 52.29 74.45 0.27 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.752 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 20' ' ' VAL . . . -95.49 107.17 19.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.538 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -80.93 116.05 20.71 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.654 ' HB2' ' HB2' ' A' ' 19' ' ' SER . 46.4 mt-30 -106.54 137.86 43.77 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 -171.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.8 mt -112.42 109.73 29.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.396 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -139.01 164.82 28.74 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.899 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -92.9 -132.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -41.1 -69.26 0.14 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.215 0.531 . . . . 0.0 110.485 173.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -148.35 11.76 0.91 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.631 0.729 . . . . 0.0 109.519 171.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.8 t -82.7 100.79 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.166 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.4 tp -88.4 124.69 34.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.664 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 16.8 p90 -115.4 -30.07 6.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.626 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.27 150.03 19.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.976 0.417 . . . . 0.0 111.267 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.16 144.47 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 175.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 11.2 p -108.15 135.9 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.311 0.577 . . . . 0.0 111.119 -176.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HB2' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -128.57 160.24 33.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.58 111.56 17.82 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.482 HG23 ' HG2' ' A' ' 43' ' ' GLU . 11.9 p -144.0 143.82 23.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.015 -175.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' HG2' HG23 ' A' ' 42' ' ' VAL . 41.4 mm-40 62.57 24.32 14.47 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.813 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 69.2 22.92 6.55 Favored 'General case' 0 CA--C 1.519 -0.214 0 O-C-N 123.979 0.799 . . . . 0.0 110.429 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.445 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 48.6 mtt85 -135.44 131.67 19.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 12.7 Cg_exo -70.48 126.83 13.25 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.649 2.233 . . . . 0.0 111.316 175.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.21 139.87 46.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.704 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.37 142.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 79' ' ' SER . 50.1 m -111.68 124.75 52.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.152 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.01 160.38 17.53 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -91.16 136.28 33.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.42 98.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.462 0.648 . . . . 0.0 112.565 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.69 ' HB2' HD23 ' A' ' 56' ' ' LEU . 6.4 m -92.54 166.35 17.15 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.087 176.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 53' ' ' SER . 91.0 Cg_exo -42.83 -55.31 2.8 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.125 2.55 . . . . 0.0 113.563 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -77.6 -40.43 42.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.654 0.264 . . . . 0.0 111.174 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.69 HD23 ' HB2' ' A' ' 53' ' ' SER . 3.8 mm? -62.99 -33.78 76.14 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.515 -177.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.12 -27.07 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 111.019 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -72.31 -39.38 68.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.052 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mp -54.55 -43.9 72.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.355 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.575 ' HA ' HG12 ' A' ' 67' ' ' VAL . 10.4 tt -69.03 -38.21 79.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.247 0.546 . . . . 0.0 110.223 177.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -61.81 -44.24 97.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.946 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -88.07 -50.18 6.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.894 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -98.29 104.93 17.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -175.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -89.55 0.49 56.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.647 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.5 m -97.19 -38.25 9.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -175.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.95 -26.3 34.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -171.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 60' ' ' LEU . 12.0 p . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 121.302 0.572 . . . . 0.0 112.212 -171.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -95.19 -16.85 22.23 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mp -122.67 -55.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.095 0.474 . . . . 0.0 110.7 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.505 ' C ' HD21 ' A' ' 74' ' ' ASN . 0.3 OUTLIER -128.84 -174.45 3.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.002 -175.167 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -82.72 -56.18 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 170.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.62 93.84 1.03 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.106 0.479 . . . . 0.0 111.501 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.459 ' HB2' ' OD1' ' A' ' 74' ' ' ASN . 96.2 m-70 -139.31 -58.81 0.59 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -82.2 144.57 30.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 170.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.535 ' O ' ' HA ' ' A' ' 49' ' ' SER . 12.9 m -125.0 128.86 49.21 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.844 0.354 . . . . 0.0 110.555 -175.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.8 m -108.57 119.47 39.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.621 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.9 m -110.98 140.35 30.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.976 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -85.06 128.93 34.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.901 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.32 9.97 9.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -129.59 93.6 3.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.66 -43.91 1.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.674 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 m -95.83 129.36 43.09 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 91' ' ' GLN . 72.4 mt 65.06 126.91 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.396 0 CA-C-O 121.495 0.664 . . . . 0.0 111.975 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 23.7 Cg_exo -65.0 161.76 35.46 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.609 2.206 . . . . 0.0 111.5 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -64.79 -20.1 66.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.463 -175.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -70.49 -35.24 73.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.077 0.465 . . . . 0.0 110.378 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.446 ' HG2' HD22 ' A' ' 87' ' ' LEU . 7.0 tp60 -70.35 -30.56 67.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.73 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.6 mt -54.74 -37.77 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.266 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -60.09 -45.45 92.9 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.974 0.416 . . . . 0.0 110.328 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -58.91 -44.41 91.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.964 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.42 -40.45 74.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.389 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.35 -50.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 0.2 OUTLIER -69.18 -41.91 76.54 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -173.657 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.84 92.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.821 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.664 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 19.0 m -64.89 -41.06 95.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.295 177.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.494 ' O ' HG22 ' A' ' 104' ' ' VAL . 59.3 t80 -66.54 -42.68 86.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.173 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 32.7 mm-40 -58.54 -43.85 89.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.576 0.227 . . . . 0.0 111.068 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -62.2 -42.67 99.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 177.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -60.7 -42.11 96.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.474 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 100' ' ' TYR . 99.7 t -60.12 -36.41 67.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -77.08 -16.73 59.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.02 -16.09 26.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.336 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 93.5 mt -75.13 135.78 73.16 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.479 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 17.4 Cg_exo -68.01 168.18 19.64 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.969 2.446 . . . . 0.0 112.709 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' HG3' ' HE2' ' A' ' 113' ' ' LYS . 7.8 tp10 -48.89 -52.56 23.74 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.917 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -52.6 -42.09 64.24 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.357 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 111' ' ' LYS . 4.5 mptp? -72.4 -44.7 62.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.108 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 112' ' ' ARG . 49.6 mtp180 -59.93 -31.95 70.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.849 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.521 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 59.2 mmtt -60.54 -44.6 95.93 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.149 0.499 . . . . 0.0 110.377 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 83.8 mt -63.35 -39.57 94.9 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.127 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.77 -29.39 66.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.222 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.09 -33.41 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.069 0.462 . . . . 0.0 110.711 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.43 -37.23 68.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.972 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 96.9 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.581 -0.723 . . . . 0.0 111.481 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.534 ' HB2' ' HB3' ' A' ' 89' ' ' ASP . 10.0 tmm? . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.76 175.81 5.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.782 -171.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.4 mm -54.5 -33.39 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.859 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 p -58.36 -45.71 87.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 0.0 111.118 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.533 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 28.0 mt-10 -77.46 -42.01 37.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.368 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.46 -48.75 71.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.653 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.656 HD21 HG22 ' A' ' 27' ' ' THR . 0.9 OUTLIER -55.01 -48.03 73.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.572 -177.854 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -66.92 -35.97 81.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.249 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -64.85 -42.3 95.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.689 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.26 -35.25 80.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.071 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.531 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 29.6 mmt -79.26 -10.7 59.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.124 -177.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.43 -8.87 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.184 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -114.01 118.69 42.09 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.662 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.06 145.05 66.16 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.177 2.585 . . . . 0.0 112.561 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.07 -21.41 29.36 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.795 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.31 122.87 42.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.109 0.481 . . . . 0.0 111.259 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -106.63 142.13 36.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.373 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.442 HE21 HD12 ' A' ' 7' ' ' LEU . 19.2 tt0 -89.77 135.69 33.48 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.8 p -146.15 122.55 10.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -93.09 128.6 44.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -99.83 97.38 8.3 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.82 101.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.298 0.571 . . . . 0.0 110.144 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 t70 172.1 -65.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 -173.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -88.35 -23.1 23.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.597 169.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? 59.43 71.98 0.55 Allowed 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.864 -171.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 39' ' ' VAL . . . -150.09 177.86 9.5 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.703 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.656 HG22 HD21 ' A' ' 7' ' ' LEU . 22.8 m -108.1 128.7 54.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.388 0.613 . . . . 0.0 112.0 -173.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.574 ' CG ' ' HG3' ' A' ' 38' ' ' MET . 7.7 mt-30 -105.79 128.04 53.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.206 172.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.2 mt -99.33 108.8 23.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.64 ' HB3' HD22 ' A' ' 35' ' ' LEU . 11.9 ptmm? -133.01 161.47 34.27 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.22 -171.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.776 HG13 HD12 ' A' ' 107' ' ' LEU . 2.3 t -87.12 -134.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 168.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.91 -57.02 14.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.945 0.402 . . . . 0.0 110.296 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.42 14.35 1.25 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.849 0.833 . . . . 0.0 109.823 174.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.0 t -97.51 116.39 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.183 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 30' ' ' LYS . 33.9 mt -93.01 129.81 38.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.651 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.616 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 55.3 p90 -124.45 -9.15 7.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.943 176.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.3 140.85 11.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 111.041 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.574 ' HG3' ' CG ' ' A' ' 28' ' ' GLN . 26.6 ttm -151.0 116.32 5.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.96 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 8.0 p -107.31 132.98 53.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.803 0.335 . . . . 0.0 110.743 -176.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -127.8 159.23 35.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.228 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -106.25 110.73 23.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.144 0.497 . . . . 0.0 109.733 172.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.534 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.1 p -123.12 132.8 70.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.534 ' HG3' HG22 ' A' ' 42' ' ' VAL . 38.1 mt-10 61.15 24.59 14.68 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -174.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.2 t30 67.38 23.88 9.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.534 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 34.4 ptt180 -129.94 141.17 40.94 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.827 0.346 . . . . 0.0 110.375 174.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 15.0 Cg_exo -69.12 126.38 13.66 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.258 2.639 . . . . 0.0 113.043 -176.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.45 127.81 38.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.611 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.6 p -115.32 142.43 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.933 0.397 . . . . 0.0 110.769 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.592 ' HB3' ' HB3' ' A' ' 78' ' ' TRP . 18.7 m -110.91 123.33 49.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.753 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.492 HD23 HD11 ' A' ' 56' ' ' LEU . 8.3 mp -113.76 176.56 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.648 176.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -89.83 155.55 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.8 m -62.76 103.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.118 0.485 . . . . 0.0 111.215 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.561 ' HB3' HD23 ' A' ' 56' ' ' LEU . 35.8 t -117.46 147.99 41.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.461 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -46.63 -55.14 4.05 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.304 2.669 . . . . 0.0 113.353 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -72.94 -28.54 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.561 HD23 ' HB3' ' A' ' 53' ' ' SER . 3.9 mm? -63.14 -35.52 80.57 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.229 173.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.25 -38.51 65.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.034 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -54.29 -48.43 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.714 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.0 tp -52.69 -51.56 59.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.398 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.99 -29.69 70.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.77 0.319 . . . . 0.0 111.68 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -72.68 -44.24 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.558 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.17 -35.52 18.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.489 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -118.08 96.39 5.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.221 0.534 . . . . 0.0 110.658 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -120.92 72.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.013 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.7 p -101.75 -67.32 0.87 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.152 0.501 . . . . 0.0 110.978 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -121.02 7.47 10.34 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.394 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.6 m . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 0.0 110.772 178.051 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.471 ' HE ' ' HB2' ' A' ' 71' ' ' ARG . 5.5 ttm180 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.836 0.351 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -65.93 -27.45 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.901 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.25 -23.38 19.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.627 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 68.19 122.85 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.06 0.85 . . . . 0.0 111.434 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -62.47 -25.83 68.2 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.235 -177.323 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.18 -17.55 64.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.461 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -116.45 -49.01 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.568 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.592 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 85.4 m95 -123.31 149.83 44.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.307 0.575 . . . . 0.0 112.079 -175.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 49' ' ' SER . 51.4 m -124.82 132.36 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 172.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.3 m -100.83 120.52 40.24 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.344 0.593 . . . . 0.0 111.917 -170.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.92 120.67 64.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.431 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -86.85 154.39 20.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.037 0.446 . . . . 0.0 110.746 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.463 HD21 HD13 ' A' ' 87' ' ' LEU . 88.7 mt -98.84 24.28 7.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -77.48 -33.22 54.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.117 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.86 19.57 3.3 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 113.234 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 m 58.32 75.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.158 0.504 . . . . 0.0 110.941 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD13 HD21 ' A' ' 83' ' ' LEU . 95.4 mt -93.37 128.11 43.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.25 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -69.14 162.64 40.95 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.685 2.257 . . . . 0.0 111.926 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.7 p-10 -60.2 -36.39 77.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.24 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -53.3 -40.82 65.05 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.374 0.421 . . . . 0.0 111.609 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -44.94 57.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.32 0.581 . . . . 0.0 109.885 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.95 -32.62 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.617 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -54.71 -46.03 74.12 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.356 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -62.08 -44.42 96.71 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.586 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.4 mt -56.6 -41.72 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.6 t -77.52 -44.84 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.51 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -72.04 -36.0 69.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.895 0.379 . . . . 0.0 111.415 -173.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -67.49 -41.02 85.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.258 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.616 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 9.7 p -70.64 -38.77 73.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.629 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -58.14 -43.21 87.21 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.266 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -57.51 -49.02 77.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.421 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.539 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 78.1 mt-30 -53.68 -55.02 29.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.849 178.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -54.59 -48.39 72.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.088 -175.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.04 -41.24 92.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.118 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -74.13 -24.89 59.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.409 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 93.8 mt -74.77 -21.68 59.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.786 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.776 HD12 HG13 ' A' ' 31' ' ' VAL . 97.0 mt -78.85 147.03 69.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.9 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.19 156.03 52.93 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.849 2.366 . . . . 0.0 112.199 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 3.9 mm-40 -48.84 -44.32 39.4 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.579 -177.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -49.04 -52.79 23.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -37.1 57.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.478 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.44 ' O ' HG21 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -61.74 -36.87 82.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.029 -174.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 75.3 mmtt -63.81 -47.99 78.67 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.007 0.432 . . . . 0.0 110.647 177.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.62 -42.53 97.03 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.07 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.88 -37.7 80.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.209 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 112' ' ' ARG . 91.2 t -71.86 -30.28 36.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.428 . . . . 0.0 111.066 -178.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 26.5 mm-40 -69.62 -27.94 65.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.869 -177.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.797 -178.5 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.778 0.323 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.24 165.33 11.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 175.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.519 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 47.0 mm -58.83 -37.42 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.358 -178.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -60.99 -45.43 94.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.573 0.225 . . . . 0.0 111.206 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.65 -37.18 82.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.757 0.313 . . . . 0.0 110.158 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.623 HD13 HG23 ' A' ' 96' ' ' VAL . 49.8 tp -60.94 -49.52 77.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 176.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 81.1 mt -59.75 -37.52 79.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.782 178.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.84 -39.12 76.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.495 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -65.66 -32.73 74.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.1 m -66.9 -15.34 63.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.173 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.535 ' HA ' ' HE1' ' A' ' 11' ' ' MET . 2.8 mmt -83.15 -0.63 50.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.153 0.501 . . . . 0.0 110.168 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.16 9.36 39.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.445 0.64 . . . . 0.0 109.896 174.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -111.64 100.23 47.45 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.124 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.01 117.36 4.1 Favored 'Trans proline' 0 CA--C 1.527 0.153 0 C-N-CA 122.586 2.191 . . . . 0.0 112.739 -175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.2 -24.47 14.2 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.301 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.37 132.03 35.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.72 0.295 . . . . 0.0 110.679 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -131.63 151.73 51.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.945 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.546 ' HG2' HG12 ' A' ' 29' ' ' ILE . 47.6 mt-30 -107.86 145.45 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.564 -174.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 p -153.41 126.9 8.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.666 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.9 p -80.5 126.94 39.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 175.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -104.48 138.0 41.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.702 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -78.91 87.38 4.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.486 -174.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.28 -71.7 0.47 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.61 172.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -152.87 67.42 0.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.491 0.662 . . . . 0.0 110.0 170.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.6 tttt 57.46 74.05 0.44 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.297 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.643 ' HB1' ' HD3' ' A' ' 40' ' ' LYS . . . -130.62 113.35 14.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.106 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.555 ' HB ' ' CG1' ' A' ' 39' ' ' VAL . 31.8 m -94.4 117.31 29.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HB3' HD12 ' A' ' 35' ' ' LEU . 72.0 mt-30 -102.52 134.48 45.79 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.446 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.546 HG12 ' HG2' ' A' ' 18' ' ' GLN . 37.0 mt -110.08 118.77 57.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.343 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -135.8 169.34 17.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.309 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.412 HG11 ' H ' ' A' ' 32' ' ' GLU . 2.1 t -94.23 -137.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 170.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.712 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 5.8 mm-40 -65.11 -56.87 10.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.059 0.457 . . . . 0.0 110.766 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -126.21 -11.49 6.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.1 t -96.57 110.58 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.764 -172.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.41 HD12 ' HB3' ' A' ' 28' ' ' GLN . 60.6 tp -88.21 130.83 34.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 172.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -132.7 -18.97 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.11 140.68 32.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.5 ' SD ' ' HE2' ' A' ' 40' ' ' LYS . 15.5 ttm -138.7 115.69 10.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.562 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.555 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 7.3 p -90.53 125.11 43.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.643 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 2.4 tppt? -145.09 129.02 17.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.907 -173.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 47.1 mt-10 -90.06 110.92 21.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.28 0.562 . . . . 0.0 111.013 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.435 HG12 ' HE2' ' A' ' 82' ' ' TYR . 4.0 p -121.6 139.74 47.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 173.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 66.28 17.0 10.62 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.673 0.749 . . . . 0.0 108.985 -169.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 60.65 25.59 15.33 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.492 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.53 136.47 22.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 169.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.501 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 17.6 Cg_endo -58.25 123.6 14.0 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.785 2.324 . . . . 0.0 111.709 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.479 ' HB1' HG21 ' A' ' 80' ' ' THR . . . -144.56 144.29 31.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.639 -176.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.83 129.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.122 0.487 . . . . 0.0 110.913 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 14.9 m -94.82 128.36 41.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.862 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mp -98.48 157.65 16.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.387 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -62.87 -54.52 37.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.667 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.638 HG21 ' H ' ' A' ' 53' ' ' SER . 4.6 t -172.38 -64.87 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.667 176.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.95 ' HB2' ' HB2' ' A' ' 56' ' ' LEU . 8.9 m 66.88 132.71 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.559 0 CA-C-O 121.412 0.625 . . . . 0.0 112.003 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.44 -57.85 0.42 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.536 2.157 . . . . 0.0 112.837 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.04 -31.66 72.34 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.728 0.299 . . . . 0.0 110.941 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.95 ' HB2' ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -67.67 -38.35 83.63 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.843 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.505 ' O ' ' HD3' ' A' ' 61' ' ' ARG . . . -57.08 -43.68 82.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.381 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -62.0 -51.18 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.15 175.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.4 tt -52.61 -47.71 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.144 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 75.2 mt -63.97 -32.52 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.505 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 2.1 mpt_? -76.84 -27.45 55.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.272 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.15 -45.6 14.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.626 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.92 -155.41 0.35 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 123.27 0.356 . . . . 0.0 111.236 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 75.35 -68.17 0.22 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.421 0.688 . . . . 0.0 111.965 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.5 m -92.17 -36.65 13.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.75 0.309 . . . . 0.0 110.955 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.21 121.45 38.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.727 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.521 ' H ' HD22 ' A' ' 87' ' ' LEU . 93.0 t . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 121.815 0.817 . . . . 0.0 112.654 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 121.398 0.618 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.469 ' HE1' ' HB3' ' A' ' 78' ' ' TRP . 6.7 p80 -95.11 -49.09 5.67 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.652 -175.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -147.28 -154.03 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -173.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -54.23 105.8 0.17 Allowed 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -71.99 -27.26 62.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.205 -173.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.25 21.07 3.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.199 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -145.7 -53.31 0.27 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 110.602 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.469 ' HB3' ' HE1' ' A' ' 72' ' ' HIS . 89.6 m95 -108.23 128.7 54.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.1 m -125.16 140.67 52.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.479 HG21 ' HB1' ' A' ' 47' ' ' ALA . 24.2 m -121.27 132.45 54.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.547 -172.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.6 t -90.46 113.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.512 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.435 ' HE2' HG12 ' A' ' 42' ' ' VAL . 32.8 m-85 -87.65 129.25 35.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.543 -176.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.9 50.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 169.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.48 -81.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.132 -172.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.55 21.87 0.48 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 16.2 m -146.64 -171.07 3.67 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.521 HD22 ' H ' ' A' ' 67' ' ' VAL . 95.6 mt 74.57 145.02 0.11 Allowed Pre-proline 0 CA--C 1.532 0.272 0 O-C-N 124.013 0.821 . . . . 0.0 111.375 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 3.0 Cg_exo -75.96 141.64 24.18 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.928 2.418 . . . . 0.0 112.471 -177.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.45 -38.2 89.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.422 0.629 . . . . 0.0 110.031 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.8 m -60.88 -28.22 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.022 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.591 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 5.2 tp60 -63.92 -35.36 80.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.246 -178.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.4 mt -60.37 -40.19 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.443 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 -56.29 -45.41 80.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.905 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.61 -42.69 77.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.618 HD21 HD12 ' A' ' 56' ' ' LEU . 71.4 mt -59.14 -46.69 87.71 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.396 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.623 HG23 HD13 ' A' ' 6' ' ' LEU . 59.7 t -68.68 -44.54 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 36.8 t70 -66.24 -42.35 88.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.354 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.14 72.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 111.216 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.457 ' HA ' ' NE2' ' A' ' 102' ' ' GLN . 41.7 m -69.61 -34.53 74.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 110.239 177.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -73.04 -37.95 66.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.707 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 31.6 mm-40 -56.86 -44.04 81.79 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 111.046 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 99' ' ' SER . 42.8 mt-30 -56.08 -40.9 74.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.169 178.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.93 -41.12 95.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.75 -32.41 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -76.76 -21.17 55.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.6 mt -88.83 -33.1 17.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.003 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 96.4 mt -63.75 135.23 96.19 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.357 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.52 ' HG2' ' HG2' ' A' ' 111' ' ' LYS . 38.1 Cg_endo -69.81 -173.59 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.921 2.414 . . . . 0.0 113.302 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -53.42 -54.18 40.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.32 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.22 -53.11 55.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.823 -174.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.712 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 26.4 mmmt -65.14 -52.19 56.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.021 -171.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.43 ' O ' HG21 ' A' ' 116' ' ' VAL . 33.2 mtp85 -53.22 -49.81 66.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.896 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -57.25 -44.2 83.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.672 0.272 . . . . 0.0 111.613 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.03 -47.97 64.11 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.738 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 75.3 mt -67.75 -27.57 66.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.165 -173.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 112' ' ' ARG . 78.3 t -77.02 -30.46 17.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.042 0.448 . . . . 0.0 110.885 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -70.57 -28.54 64.96 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.472 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.835 -174.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.4 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 23.2 ptp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.38 148.09 45.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.252 0.345 . . . . 0.0 110.919 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 39.5 mm -62.22 -34.48 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -175.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 p -59.85 -51.4 69.87 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -176.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.57 -34.99 79.55 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.879 0.371 . . . . 0.0 110.524 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.28 -45.77 83.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.946 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 72.4 mt -61.55 -36.44 80.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.087 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -64.57 -43.85 92.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.26 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -60.77 -32.56 71.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.364 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.6 m -59.68 -46.87 87.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.298 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mtp -85.43 0.63 51.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.76 0.314 . . . . 0.0 111.716 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.57 -20.99 61.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.188 0.518 . . . . 0.0 109.693 175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -87.03 122.22 71.24 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.639 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.13 127.49 25.29 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.1 2.533 . . . . 0.0 112.841 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 108.04 -27.89 13.35 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.717 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 123.73 24.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.255 0.55 . . . . 0.0 111.956 -175.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -123.6 129.17 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.956 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.534 ' HG2' HG12 ' A' ' 29' ' ' ILE . 43.6 mt-30 -103.89 138.31 40.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.634 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 m -141.96 111.51 6.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.48 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.602 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.9 p -75.67 116.52 18.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.349 0.595 . . . . 0.0 110.254 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.66 120.42 24.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.695 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -74.54 96.06 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.806 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -159.15 -67.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.868 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -144.61 34.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.017 0.437 . . . . 0.0 110.776 177.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.0 mttt 65.27 77.65 0.3 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.069 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -133.94 105.75 6.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.115 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.602 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 26.0 m -92.43 117.22 29.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.927 0.394 . . . . 0.0 110.148 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.479 ' HB3' HD13 ' A' ' 35' ' ' LEU . 50.2 mt-30 -99.81 123.92 44.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.247 -177.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.534 HG12 ' HG2' ' A' ' 18' ' ' GLN . 14.3 mt -104.07 117.2 49.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -129.17 149.09 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.152 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.569 ' HB ' HD23 ' A' ' 115' ' ' LEU . 20.1 m -93.95 11.44 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.372 0.606 . . . . 0.0 110.727 177.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 174.8 -82.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -142.69 16.02 1.97 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 166.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.06 103.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 114.398 -1.273 . . . . 0.0 109.735 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 28' ' ' GLN . 55.9 tp -81.61 110.5 17.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.58 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -95.15 -39.85 9.9 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.026 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.24 160.91 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.469 0.176 . . . . 0.0 110.67 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.458 ' HE2' HD23 ' A' ' 35' ' ' LEU . 17.4 ptp -148.38 150.61 33.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 7.6 p -110.7 133.96 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.159 0.504 . . . . 0.0 109.655 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.709 ' HB2' ' HZ3' ' A' ' 40' ' ' LYS . 9.3 mtmp? -136.0 142.46 44.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 -177.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -99.03 111.29 23.73 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.89 144.79 27.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 65.05 21.4 12.25 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -173.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 65.4 20.6 11.8 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.404 -175.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -118.91 129.76 25.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.374 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.43 107.74 1.67 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.208 1.939 . . . . 0.0 110.928 172.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -124.45 152.25 43.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.996 -175.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -115.99 141.34 33.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.365 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 79' ' ' SER . 67.2 m -115.45 124.71 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.925 0.393 . . . . 0.0 110.806 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -112.82 172.76 6.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.331 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -89.06 -176.7 5.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.781 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 t -77.99 77.59 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.775 0.798 . . . . 0.0 110.897 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.757 ' HB2' HD23 ' A' ' 56' ' ' LEU . 15.6 m -89.5 152.73 47.67 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.634 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.3 -56.69 2.57 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.277 2.651 . . . . 0.0 113.645 -177.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.83 -32.71 72.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.697 0.284 . . . . 0.0 111.146 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.757 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -70.27 -38.26 75.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.786 0.327 . . . . 0.0 110.574 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.48 87.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.343 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -68.46 -47.13 67.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.28 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.54 -42.04 67.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.731 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.27 -36.97 66.68 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 111.614 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -77.32 -49.09 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.492 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -78.23 -40.41 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -172.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -120.23 93.2 3.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.067 0.46 . . . . 0.0 109.903 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -117.14 2.72 12.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.286 0.565 . . . . 0.0 110.255 -173.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.7 m -84.85 33.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.922 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -166.0 -59.84 0.03 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 111.06 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.535 HG13 HG22 ' A' ' 81' ' ' VAL . 17.6 m . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.82 -176.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 121.175 0.512 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -31.21 63.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.252 178.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.661 HD11 ' HE2' ' A' ' 40' ' ' LYS . 87.4 mt -108.76 -25.17 10.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.874 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.8 t30 75.67 139.72 0.07 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.991 0.917 . . . . 0.0 110.745 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -53.43 -57.73 9.63 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -169.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.91 23.71 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -118.82 -58.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.422 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 91.6 m95 -135.68 148.06 48.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.5 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' A' ' 49' ' ' SER . 35.6 t -125.67 131.89 52.53 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.5 m -106.74 116.25 31.6 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.544 -171.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.535 HG22 HG13 ' A' ' 67' ' ' VAL . 43.2 t -95.72 126.34 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.743 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -95.87 124.0 39.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.052 0.453 . . . . 0.0 110.52 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.2 57.96 2.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.698 0.761 . . . . 0.0 110.777 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -89.49 -23.58 22.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.121 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.12 -0.58 6.09 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.602 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -67.61 -40.16 84.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 0.0 110.739 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.74 145.85 30.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.887 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.91 163.17 38.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.609 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.43 -38.09 88.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.348 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -60.93 -27.76 68.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.395 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.559 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 51.4 tp60 -62.83 -32.91 74.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.621 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.39 -41.19 88.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.29 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.4 ' CE2' ' HE1' ' A' ' 1' ' ' MET . 23.1 m-85 -59.92 -44.19 94.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.855 0.359 . . . . 0.0 110.971 177.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -62.29 -42.92 99.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.214 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 88.2 mt -55.63 -42.12 74.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.607 -176.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.53 -46.21 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.673 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -69.37 -37.93 77.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.767 0.318 . . . . 0.0 111.087 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.55 -34.79 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -177.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 p -73.09 -38.42 66.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.609 0.242 . . . . 0.0 110.877 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.467 ' O ' HG21 ' A' ' 104' ' ' VAL . 85.8 t80 -66.27 -45.23 81.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.1 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -54.6 45.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.857 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.33 -35.44 75.63 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.704 -175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.0 -41.08 97.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 100' ' ' TYR . 59.0 t -64.5 -30.5 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -75.03 -23.7 58.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.64 -16.4 27.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.499 -175.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.448 HD12 HD12 ' A' ' 115' ' ' LEU . 90.9 mt -88.03 144.39 34.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.304 -176.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.59 168.14 20.72 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.891 2.394 . . . . 0.0 112.323 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.532 ' OE1' ' HE3' ' A' ' 113' ' ' LYS . 7.0 tp10 -54.12 -44.33 71.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.497 -176.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -48.62 -50.47 32.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.308 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.584 ' HE3' ' HA ' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -75.8 -41.79 51.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.006 0.431 . . . . 0.0 110.622 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.432 HH21 ' CD ' ' A' ' 109' ' ' GLU . 50.7 ttp180 -56.44 -39.37 73.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.737 -178.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.695 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 9.8 mmpt? -63.44 -48.06 79.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.967 0.413 . . . . 0.0 110.384 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 38.4 mt -63.9 -38.23 90.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.928 -176.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.569 HD23 ' HB ' ' A' ' 31' ' ' VAL . 77.4 mt -57.18 -37.59 72.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.061 0.457 . . . . 0.0 111.05 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 28.4 t -76.27 -28.34 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.444 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 31.5 mm-40 -75.1 -28.98 60.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.681 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 93.7 mt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.54 -0.743 . . . . 0.0 111.127 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.931 0.396 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.5 p -85.75 171.38 11.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.678 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 49.2 mm -60.9 -42.25 91.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.007 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.7 t -61.01 -36.87 80.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.874 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.15 -42.93 75.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.477 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.408 HD11 HG22 ' A' ' 96' ' ' VAL . 43.6 tp -62.79 -45.78 91.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.497 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 81.9 mt -59.91 -36.69 77.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.888 178.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 8' ' ' GLN . 6.9 tp60 -67.26 -40.25 86.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.808 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.46 -33.43 75.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 110.305 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.97 -31.61 71.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.325 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.55 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 4.0 mmt -70.06 -27.17 64.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.52 59.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.858 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -96.69 116.44 66.1 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.968 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.83 117.19 4.3 Favored 'Trans proline' 0 CA--C 1.527 0.171 0 C-N-CA 122.725 2.284 . . . . 0.0 112.932 -176.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.08 39.24 2.17 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.574 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.63 118.06 18.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.865 0.365 . . . . 0.0 110.985 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -113.09 140.71 47.64 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -114.41 120.61 40.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.15 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -126.11 108.9 11.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.05 121.06 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.327 0.584 . . . . 0.0 110.819 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.59 141.24 37.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.652 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -87.55 58.17 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -169.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -112.5 -51.06 2.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.646 171.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -111.39 4.12 18.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.2 tttt 63.11 28.38 16.03 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 122.388 1.09 . . . . 0.0 108.595 -169.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.7 119.42 22.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.357 -175.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.42 ' HB ' ' CG1' ' A' ' 39' ' ' VAL . 28.3 m -85.33 116.4 23.64 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 171.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -103.63 124.49 48.93 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.309 -172.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.1 mt -102.65 121.59 53.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.205 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HB3' HD22 ' A' ' 35' ' ' LEU . 22.6 pttp -154.0 170.34 21.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.377 -173.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.465 HG21 ' HB ' ' A' ' 34' ' ' VAL . 2.0 t -78.94 -137.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 168.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' H ' HG13 ' A' ' 31' ' ' VAL . 3.3 mp0 -53.19 -57.0 11.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.475 0.58 . . . . 0.0 109.741 172.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -152.0 26.42 0.63 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.658 0.742 . . . . 0.0 109.864 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' HB ' HG21 ' A' ' 31' ' ' VAL . 57.3 t -98.29 110.99 26.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.006 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' A' ' 30' ' ' LYS . 64.5 mt -86.32 128.0 34.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.277 0.56 . . . . 0.0 112.295 -175.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.516 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 51.3 p90 -134.11 -10.13 2.61 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.354 174.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.11 158.23 16.5 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -175.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.671 ' HG3' ' HB2' ' A' ' 49' ' ' SER . 10.2 ptp -154.06 147.6 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.692 174.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.42 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 11.4 p -127.36 137.73 56.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.923 0.392 . . . . 0.0 110.423 177.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -138.6 171.66 14.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.649 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -123.77 135.77 54.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.534 HG23 ' HG3' ' A' ' 43' ' ' GLU . 3.7 p -139.07 128.4 30.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.534 ' HG3' HG23 ' A' ' 42' ' ' VAL . 40.3 mt-10 63.05 30.17 16.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.737 -175.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.5 t30 63.59 20.77 12.41 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.85 0.833 . . . . 0.0 110.213 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 45' ' ' ARG . 15.3 mtp180 -119.53 123.46 28.63 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.383 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HG2' ' HB2' ' A' ' 83' ' ' LEU . 30.7 Cg_endo -63.99 141.5 77.47 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.75 2.3 . . . . 0.0 112.677 -176.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.12 137.96 36.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.102 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -115.2 147.17 18.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.671 ' HB2' ' HG3' ' A' ' 38' ' ' MET . 17.0 m -139.97 117.92 11.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.976 0.417 . . . . 0.0 110.984 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 95' ' ' LEU . 7.0 mp -98.92 167.03 11.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.71 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 52' ' ' THR . 49.1 tttm -68.42 169.96 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.424 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 2.7 p -71.48 76.53 0.78 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.301 0.572 . . . . 0.0 110.853 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.567 ' HB2' HD23 ' A' ' 56' ' ' LEU . 33.3 m -82.86 147.01 53.72 Favored Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.017 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.14 -53.93 4.72 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.84 2.36 . . . . 0.0 111.963 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.89 -33.25 73.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.49 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.6 mm? -68.33 -44.99 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.881 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.7 91.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.145 0.498 . . . . 0.0 110.404 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.76 -41.07 90.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.178 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.56 -51.43 59.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.634 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.34 -30.48 70.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.751 0.31 . . . . 0.0 111.562 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.862 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -73.1 -35.87 66.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.136 -179.343 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.62 -49.64 7.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.782 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -100.45 116.52 32.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.265 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -60.82 -34.36 74.42 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.3 m 63.61 -173.11 0.16 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.829 171.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -130.76 83.99 2.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.854 -174.243 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -63.44 -38.44 91.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.996 0.427 . . . . 0.0 110.421 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.2 mt -81.15 145.79 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -84.96 136.47 33.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.886 0.374 . . . . 0.0 110.662 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.25 -29.89 66.13 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.734 -173.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.23 17.27 0.37 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.52 -61.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 0.0 110.467 175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -136.52 163.97 29.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.64 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 m -125.84 126.72 44.95 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 173.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.412 ' HA ' ' HG ' ' A' ' 49' ' ' SER . 61.0 m -102.28 114.56 28.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.342 -172.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -102.83 116.2 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.603 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -75.43 128.96 36.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.537 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 80.2 mt -79.21 63.21 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 172.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -137.52 -42.24 0.55 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.838 -171.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.21 62.49 4.12 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.435 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.1 t 73.34 -90.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.538 0.735 . . . . 0.0 110.68 -176.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 48.91 80.69 0.28 Allowed Pre-proline 0 N--CA 1.464 0.255 0 C-N-CA 122.853 0.461 . . . . 0.0 112.182 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.591 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 18.7 Cg_endo -60.24 142.29 97.88 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.349 2.033 . . . . 0.0 111.815 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.9 -19.29 65.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.423 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -62.8 -31.12 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.591 ' HG2' ' HG2' ' A' ' 88' ' ' PRO . 15.1 mm100 -72.3 -46.31 56.28 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.096 0.474 . . . . 0.0 109.8 177.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.6 mt -59.03 -39.7 78.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.775 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -54.53 -42.02 70.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.901 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -77.6 -35.74 52.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.963 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 91.1 mt -58.95 -42.4 89.72 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.252 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.408 HG22 HD11 ' A' ' 6' ' ' LEU . 86.3 t -63.18 -43.22 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.13 0.49 . . . . 0.0 110.841 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.63 -39.62 77.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.992 0.425 . . . . 0.0 110.741 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.27 88.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.617 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.516 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 13.3 p -69.32 -34.54 74.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.642 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.09 -41.52 81.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.67 0.272 . . . . 0.0 111.169 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -53.66 55.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.581 -178.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -59.99 -33.23 71.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.433 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -63.78 -42.09 97.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.748 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.46 -36.5 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -68.32 -27.51 66.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.738 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.1 mt -86.68 -8.73 57.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.181 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 95.5 mt -85.79 137.39 35.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.812 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 26.0 Cg_exo -63.84 158.75 45.24 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.8 2.333 . . . . 0.0 111.848 176.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 6.0 tp10 -50.54 -46.66 57.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.684 -176.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -48.62 -50.74 31.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.532 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.97 -44.07 90.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.854 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.463 HH21 ' CD ' ' A' ' 109' ' ' GLU . 20.0 mtm180 -60.37 -40.26 90.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.473 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 11.3 mmpt? -59.96 -46.62 88.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.338 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.71 -46.35 87.52 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.493 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.32 -29.98 70.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.903 -177.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 112' ' ' ARG . 99.1 t -79.1 -36.62 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 111.059 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.88 -28.86 67.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 99.5 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.751 -0.643 . . . . 0.0 110.391 -179.419 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.412 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 48.3 ttp . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p -75.58 165.97 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.441 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 50.2 mm -59.66 -35.06 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.763 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.3 t -60.41 -40.37 90.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.384 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.412 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 31.8 mt-10 -69.91 -39.04 76.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.804 HD21 HG23 ' A' ' 96' ' ' VAL . 2.9 tm? -63.54 -45.27 91.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.022 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 84.3 mt -59.83 -40.21 87.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.555 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -63.15 -42.09 99.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.596 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -61.86 -36.21 80.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.1 m -73.3 -17.37 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.178 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.507 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 1.5 mmt -79.92 -10.7 59.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.064 0.459 . . . . 0.0 110.542 178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.514 ' O ' ' HD3' ' A' ' 14' ' ' PRO . . . -87.11 0.85 54.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.307 176.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -103.04 96.79 8.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.417 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.514 ' HD3' ' O ' ' A' ' 12' ' ' ALA . 15.7 Cg_exo -68.28 100.05 0.63 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.7 2.266 . . . . 0.0 111.838 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.56 -20.05 2.4 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.355 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.61 119.03 31.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.723 0.297 . . . . 0.0 110.649 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.01 132.37 52.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.945 0.402 . . . . 0.0 110.182 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG2' HG12 ' A' ' 29' ' ' ILE . 71.6 mt-30 -109.86 122.19 46.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.582 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -128.17 150.42 50.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.341 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.66 123.76 42.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.262 0.554 . . . . 0.0 110.508 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.407 ' ND1' ' HB3' ' A' ' 23' ' ' ASP . 11.7 t-80 -87.06 113.42 22.8 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -76.64 55.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.056 0.931 . . . . 0.0 110.769 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 27.6 t70 -155.76 101.74 2.16 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.55 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 18.8 m95 78.89 -5.24 2.04 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.396 1.06 . . . . 0.0 110.433 -170.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt 51.74 78.62 0.12 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.69 0.757 . . . . 0.0 110.269 -175.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.524 ' HB3' ' HE1' ' A' ' 38' ' ' MET . . . -127.06 148.0 50.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.517 -177.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.462 ' HB ' ' CG2' ' A' ' 39' ' ' VAL . 23.9 m -93.1 118.44 31.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.0 0.429 . . . . 0.0 110.431 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -95.27 114.63 26.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.759 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.542 HG12 ' HG2' ' A' ' 18' ' ' GLN . 45.4 mt -102.69 108.33 23.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' NZ ' ' HA ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -136.06 150.52 49.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -177.22 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.52 HG13 HD12 ' A' ' 107' ' ' LEU . 1.9 t -79.69 -134.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HG3' ' CG ' ' A' ' 111' ' ' LYS . 20.1 mm-40 -52.43 -67.33 0.26 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.168 0.509 . . . . 0.0 110.49 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.546 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 24.0 t0 -147.65 36.13 0.87 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.764 0.793 . . . . 0.0 110.279 176.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.9 t -116.87 99.16 7.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.624 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.8 tp -84.34 97.86 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -96.47 -24.89 15.88 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.851 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.77 123.39 12.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.248 0.547 . . . . 0.0 111.878 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.524 ' HE1' ' HB3' ' A' ' 26' ' ' ALA . 13.6 ttt -125.82 114.68 18.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.46 173.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.462 ' CG2' ' HB ' ' A' ' 27' ' ' THR . 27.4 m -97.09 142.5 14.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.598 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.16 104.16 2.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.013 0.435 . . . . 0.0 110.816 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.529 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 2.4 mp0 -92.13 117.62 30.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.473 0.654 . . . . 0.0 111.257 -177.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 2.7 p -96.9 110.31 24.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.516 176.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 61.04 26.63 16.56 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 -177.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.6 t30 75.42 22.4 1.66 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.467 0.707 . . . . 0.0 110.698 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -85.56 107.56 12.9 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 167.072 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.748 ' HB2' ' HG ' ' A' ' 83' ' ' LEU . 24.6 Cg_exo -62.81 124.73 14.59 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.036 2.49 . . . . 0.0 112.401 -174.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.93 121.04 10.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.321 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.77 125.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.282 0.563 . . . . 0.0 110.43 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.9 m -100.94 115.57 30.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.653 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' C ' ' H ' ' A' ' 52' ' ' THR . 8.3 mp -98.68 155.77 17.16 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -80.47 36.57 0.37 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.686 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.41 ' H ' ' C ' ' A' ' 50' ' ' LEU . 47.5 m 67.49 106.01 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.408 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.8 ' HB2' HD23 ' A' ' 56' ' ' LEU . 14.7 m -126.61 147.49 60.85 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.195 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.09 -64.94 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.535 2.823 . . . . 0.0 113.923 -174.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.92 -30.09 61.1 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -63.53 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.798 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.54 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -73.17 -42.46 62.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 1.6 mp0 -61.89 -43.24 99.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.582 176.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.6 -51.04 68.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.853 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.708 ' HB2' HG12 ' A' ' 67' ' ' VAL . 3.6 pp -67.25 -31.15 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.86 -176.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 3.0 mpt_? -61.68 -38.29 87.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.068 177.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 58' ' ' GLU . 29.4 mm-40 -89.73 -45.99 8.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 -175.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.52 -51.63 54.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -174.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 62.41 -159.71 0.31 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -173.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t 70.12 -81.73 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 170.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.496 ' HB3' ' HB3' ' A' ' 86' ' ' SER . 2.7 t70 -92.85 -8.32 43.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.664 0.268 . . . . 0.0 111.678 -167.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.708 HG12 ' HB2' ' A' ' 60' ' ' LEU . 41.4 t . . . . . 0 C--N 1.324 -0.523 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.241 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.909 0.861 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.527 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 23.6 p80 -90.15 -29.03 18.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.9 175.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 72' ' ' HIS . 56.6 mt -165.78 -55.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -143.67 150.12 38.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.353 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -71.04 -61.34 1.8 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.148 0.28 . . . . 0.0 111.361 -177.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 77' ' ' HIS . . . -113.84 93.73 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 76' ' ' ALA . 5.5 t-80 175.69 -48.41 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 172.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.476 ' HB2' ' HE1' ' A' ' 72' ' ' HIS . 96.7 m95 -112.64 145.06 41.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.096 -0.957 . . . . 0.0 108.764 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.6 t -125.01 132.97 53.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.4 m -122.89 119.92 31.92 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.647 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.444 ' O ' HD21 ' A' ' 83' ' ' LEU . 49.0 t -90.99 104.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.8 176.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -79.08 93.54 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.748 ' HG ' ' HB2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -79.08 82.75 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.658 0.742 . . . . 0.0 111.585 -174.632 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -89.52 -34.86 16.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.506 174.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.46 32.02 0.17 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.162 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.882 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -88.95 -64.55 1.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.626 -175.35 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.882 HD22 ' HB2' ' A' ' 86' ' ' SER . 2.3 mm? -111.97 138.65 21.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.856 -176.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 5.7 Cg_exo -78.66 174.32 12.45 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.027 2.484 . . . . 0.0 112.394 175.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.64 -55.74 12.61 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.34 0.656 . . . . 0.0 111.863 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.9 m -58.7 -34.13 70.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.467 -174.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.53 ' HG2' HD11 ' A' ' 87' ' ' LEU . 22.9 tp60 -70.08 -32.82 71.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.405 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 88' ' ' PRO . 56.8 mt -67.2 -42.45 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.885 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -57.57 -40.94 80.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.308 0.575 . . . . 0.0 110.061 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.05 -41.99 94.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.931 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 92.6 mt -68.61 -44.3 74.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.481 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.804 HG23 HD21 ' A' ' 6' ' ' LEU . 93.1 t -66.24 -41.79 89.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 111.06 -178.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -37.26 79.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.6 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.68 77.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.242 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.424 ' HA ' ' NE2' ' A' ' 102' ' ' GLN . 6.5 p -64.97 -31.57 72.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.972 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.497 ' O ' HG21 ' A' ' 104' ' ' VAL . 83.5 t80 -73.63 -43.4 59.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.274 175.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -45.0 93.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.897 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 99' ' ' SER . 29.7 pt20 -61.42 -31.64 71.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.773 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.437 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -74.95 -28.83 60.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.812 0.339 . . . . 0.0 111.334 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 115' ' ' LEU . 93.9 t -70.02 -42.0 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.794 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -73.97 -16.16 61.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 111.076 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 93.0 mt -87.35 -5.97 58.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.98 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.52 HD12 HG13 ' A' ' 31' ' ' VAL . 92.6 mt -83.97 139.22 39.87 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 0.0 111.146 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.489 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 20.4 Cg_exo -66.58 -179.31 1.53 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.186 2.591 . . . . 0.0 113.112 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 12.5 tp10 -54.12 -57.65 10.32 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.773 -174.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -52.41 -47.76 66.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.364 0.602 . . . . 0.0 111.635 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.522 ' CG ' ' HG3' ' A' ' 32' ' ' GLU . 3.9 mptp? -62.65 -43.52 98.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.709 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 116' ' ' VAL . 40.5 mtt180 -62.98 -27.79 69.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.288 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 7.5 mmpt? -61.34 -50.03 74.56 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.148 0.499 . . . . 0.0 110.024 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.46 -42.4 96.11 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.483 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 104' ' ' VAL . 98.4 mt -62.03 -26.62 68.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.682 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 112' ' ' ARG . 66.8 t -83.11 -36.87 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.895 0.378 . . . . 0.0 110.26 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -62.65 -44.21 96.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.256 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.014 -177.405 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.593 ' HE1' ' HB2' ' A' ' 6' ' ' LEU . 5.2 ppp? . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p -96.25 130.11 43.41 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.242 0.544 . . . . 0.0 111.313 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.526 HG13 ' HB3' ' A' ' 46' ' ' PRO . 44.4 mm -70.68 -22.12 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.868 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.6 m -51.65 -47.8 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.022 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.96 -35.4 50.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.342 . . . . 0.0 110.81 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.593 ' HB2' ' HE1' ' A' ' 1' ' ' MET . 3.0 tm? -60.89 -43.47 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.189 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -62.8 -45.99 90.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.288 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.8 -37.32 83.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.244 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -63.94 -32.63 74.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.853 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.3 m -68.73 -26.88 65.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.446 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.9 mtp -80.1 -10.06 59.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.572 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.15 -0.88 57.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.399 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -90.38 117.3 67.91 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.85 113.18 1.88 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.884 2.389 . . . . 0.0 113.275 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.39 -10.07 17.12 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.54 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.69 127.12 39.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.078 0.466 . . . . 0.0 111.542 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -124.3 156.13 37.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -89.96 120.97 31.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.764 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -112.19 104.67 12.88 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -91.98 125.34 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.281 0.562 . . . . 0.0 110.98 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.29 111.11 22.45 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -77.77 79.01 4.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.343 0.592 . . . . 0.0 111.772 -171.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -136.88 -69.11 0.47 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 171.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -119.27 21.05 12.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.126 171.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 62.19 40.3 11.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.527 -1.215 . . . . 0.0 112.547 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.62 120.93 14.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 171.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.3 m -100.68 117.57 35.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.135 0.493 . . . . 0.0 111.038 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -94.08 121.95 36.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.4 mt -97.6 107.98 20.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.665 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 20.3 pttp -153.63 168.43 26.24 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.526 -174.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 HG22 HD22 ' A' ' 107' ' ' LEU . 27.5 m -88.96 -146.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.544 176.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -49.21 -51.94 29.91 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -154.23 18.4 0.49 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.141 0.496 . . . . 0.0 111.379 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.448 ' HB ' HG21 ' A' ' 31' ' ' VAL . 54.2 t -108.26 106.55 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.836 0.351 . . . . 0.0 110.447 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.665 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 59.0 tp -94.83 121.08 36.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.512 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.5 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 46.5 p90 -110.83 -29.27 8.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.494 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.6 144.08 19.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.341 . . . . 0.0 111.123 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -140.27 136.19 33.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.635 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -102.36 134.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.004 0.431 . . . . 0.0 110.721 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.815 ' HB2' ' HZ3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -150.17 119.76 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -178.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.53 ' OE2' ' HA ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -83.08 114.47 21.32 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.299 0.571 . . . . 0.0 111.127 -179.402 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.411 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.8 p -117.5 143.43 28.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 42' ' ' VAL . 51.4 mt-10 66.27 15.52 10.12 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -171.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.9 t30 67.6 11.49 8.4 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.167 -172.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HD2' ' OD1' ' A' ' 84' ' ' ASP . 48.1 mtm180 -106.8 133.54 20.22 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.929 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.584 ' HB2' ' HB2' ' A' ' 83' ' ' LEU . 48.1 Cg_exo -57.15 134.52 64.74 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.806 2.337 . . . . 0.0 112.621 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.94 127.56 9.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.453 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.93 136.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 -175.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.6 t -111.13 115.83 30.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.933 -179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 99' ' ' SER . 6.7 mp -99.0 155.96 17.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.635 178.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -78.42 167.73 20.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -43.01 111.77 0.3 Allowed 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.629 0.58 . . . . 0.0 112.073 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.626 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . 39.3 t -129.66 139.04 34.49 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.074 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.459 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 76.9 Cg_exo -50.28 -63.92 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.091 2.528 . . . . 0.0 112.851 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.74 -34.32 78.04 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.626 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 4.4 mm? -65.76 -41.55 91.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.692 0.282 . . . . 0.0 110.57 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.57 68.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.394 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 54' ' ' PRO . 26.0 mm-40 -61.14 -41.36 96.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.066 177.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.2 tp -52.75 -37.65 59.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.896 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 69' ' ' PRO . 65.8 tp -71.15 -34.01 70.6 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.541 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -75.58 -49.56 18.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.917 0.389 . . . . 0.0 110.999 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.55 -51.63 11.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.958 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -108.0 154.57 21.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.991 0.424 . . . . 0.0 110.299 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -139.62 158.49 44.03 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.796 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 m 62.77 -163.87 0.26 Allowed 'General case' 0 CA--C 1.535 0.404 0 O-C-N 123.689 0.618 . . . . 0.0 111.796 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t70 72.45 -81.3 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.455 0.702 . . . . 0.0 111.949 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.85 -31.93 23.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.017 0.437 . . . . 0.0 110.115 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 62.24 88.62 0.12 Allowed Pre-proline 0 N--CA 1.465 0.283 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.84 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.572 ' HG2' HD11 ' A' ' 60' ' ' LEU . 13.8 Cg_exo -70.75 106.84 1.92 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.251 1.968 . . . . 0.0 109.709 167.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.9 p -117.1 168.9 9.87 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.0 0.429 . . . . 0.0 111.805 -169.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -101.05 72.88 1.49 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.228 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -94.95 -28.09 15.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.33 -66.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.323 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.561 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 39.6 t-20 -166.06 120.26 1.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -86.3 -26.87 24.7 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -169.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.9 -30.44 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.807 -176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -93.51 -21.85 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.01 0.434 . . . . 0.0 110.776 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.561 ' HD1' ' HB3' ' A' ' 74' ' ' ASN . 86.7 m95 -131.2 168.66 17.11 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.5 m -136.87 125.76 24.18 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.9 m -106.5 114.55 28.73 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.168 0.509 . . . . 0.0 110.733 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.3 t -98.13 115.01 37.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.8 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -72.01 99.6 2.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.939 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . 89.1 mt -69.0 -40.0 79.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.61 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.459 ' OD1' ' HD2' ' A' ' 45' ' ' ARG . 15.9 t70 68.42 -57.26 0.49 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.095 0.872 . . . . 0.0 112.983 171.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.17 -33.95 2.38 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.9 t -85.73 -3.44 58.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.61 -0.295 . . . . 0.0 111.341 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.82 136.56 54.74 Favored Pre-proline 0 C--O 1.238 0.463 0 CA-C-O 120.732 0.301 . . . . 0.0 110.479 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.65 142.19 63.22 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.989 2.459 . . . . 0.0 112.675 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.446 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 6.7 p-10 -65.19 -30.18 71.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.852 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -51.12 -48.38 61.77 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.652 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.409 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 36.2 tt0 -73.27 -40.38 64.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.939 -177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.462 ' O ' HG22 ' A' ' 96' ' ' VAL . 63.3 mt -61.6 -45.09 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.022 -174.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CE2' ' HB2' ' A' ' 89' ' ' ASP . 29.7 m-85 -58.41 -41.21 84.47 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.944 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.02 -37.92 87.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.729 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 93.9 mt -65.25 -39.23 92.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 92' ' ' ILE . 99.1 t -60.72 -52.41 61.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.788 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.458 ' HA ' ' HB3' ' A' ' 100' ' ' TYR . 2.1 m-20 -66.76 -28.98 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.54 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -59.42 -50.58 73.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 0.0 110.503 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.552 ' HB3' HD21 ' A' ' 50' ' ' LEU . 5.3 p -71.56 -34.49 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.458 ' HB3' ' HA ' ' A' ' 97' ' ' ASP . 39.8 t80 -63.8 -43.2 97.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.731 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -44.59 90.59 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 22.6 mt-30 -58.36 -44.4 88.8 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -57.18 -44.66 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.81 -38.66 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -68.81 -29.52 67.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 98.7 mt -84.46 -5.23 59.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.594 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 87.9 mt -86.71 137.88 33.65 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.659 0.266 . . . . 0.0 110.789 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.53 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 26.4 Cg_exo -64.03 175.02 3.42 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.94 2.427 . . . . 0.0 112.173 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 8.2 tp10 -54.85 -51.49 65.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.102 -175.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -48.8 -49.47 38.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.749 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.53 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 4.3 mptp? -69.34 -47.14 65.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.358 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.548 ' O ' HG22 ' A' ' 116' ' ' VAL . 79.2 mtp180 -59.76 -41.39 90.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.696 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 75.8 mmtt -56.65 -34.31 67.2 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.739 0.304 . . . . 0.0 111.36 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.41 -47.65 59.81 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.24 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.85 -26.9 67.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.678 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 112' ' ' ARG . 92.3 t -66.16 -28.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.169 0.509 . . . . 0.0 110.821 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.478 ' HA ' ' OE1' ' A' ' 117' ' ' GLN . 11.3 mm-40 -75.35 -28.9 59.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.543 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.814 -0.613 . . . . 0.0 111.209 -175.638 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.459 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 58.0 ttp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.906 0.384 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.38 -176.51 3.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.809 177.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.496 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 82.2 mt -57.51 -44.84 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -173.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -62.91 -42.49 99.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.519 0.199 . . . . 0.0 111.239 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.459 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 2.1 mp0 -66.27 -36.77 83.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.528 HD11 HG22 ' A' ' 96' ' ' VAL . 43.2 tp -63.59 -45.09 91.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.031 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 87.8 mt -61.66 -42.96 99.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.316 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.66 -45.16 92.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.48 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.41 -42.42 99.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.865 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.9 m -71.11 -13.61 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.353 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.552 ' HA ' ' HE1' ' A' ' 11' ' ' MET . 3.8 mmt -85.17 -36.97 20.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 110.058 175.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' O ' ' HD3' ' A' ' 14' ' ' PRO . . . -75.26 -11.27 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.092 175.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -99.41 101.31 12.68 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.759 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 12' ' ' ALA . 37.7 Cg_exo -60.39 156.84 38.87 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.244 2.629 . . . . 0.0 113.087 -174.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.35 -36.04 3.94 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.851 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.27 126.4 32.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.241 0.543 . . . . 0.0 110.896 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -119.77 138.76 53.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.159 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -106.03 125.45 51.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -175.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 m -115.27 118.92 34.63 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.065 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -138.08 135.37 45.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.408 0.623 . . . . 0.0 111.671 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -114.78 128.78 56.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.712 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -79.95 67.83 5.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.638 0.732 . . . . 0.0 110.648 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -105.34 -69.05 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -117.01 -4.39 11.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 166.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt 70.6 96.93 0.07 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.767 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . . . -127.69 101.35 6.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.748 172.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.527 ' HB ' HG23 ' A' ' 39' ' ' VAL . 20.8 m -81.18 116.95 21.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 110.285 -175.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -99.28 121.14 40.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.467 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mt -99.58 111.43 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -132.84 169.51 16.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.809 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 HG12 ' OE1' ' A' ' 32' ' ' GLU . 1.9 t -83.75 -135.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 170.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -54.43 -62.54 1.59 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.051 0.453 . . . . 0.0 110.098 172.716 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -137.94 3.61 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.573 0.701 . . . . 0.0 110.219 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.7 t -86.74 101.71 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.738 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.5 tp -84.76 123.23 30.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.86 176.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -112.3 -33.93 6.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.712 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.72 156.33 27.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.275 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -146.85 141.83 27.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.959 0.409 . . . . 0.0 111.24 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.527 HG23 ' HB ' ' A' ' 27' ' ' THR . 4.1 m -99.28 109.9 25.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.872 175.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 26' ' ' ALA . 33.1 pttt -103.5 123.74 47.45 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.087 -175.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.53 110.64 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 p -122.96 113.6 38.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.696 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 62.85 27.19 15.92 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t30 69.35 -0.69 2.45 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.602 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -95.13 133.68 25.82 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.915 0.388 . . . . 0.0 110.239 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.635 ' HG2' ' HB2' ' A' ' 83' ' ' LEU . 38.2 Cg_endo -66.4 117.07 4.42 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.179 2.586 . . . . 0.0 113.685 -173.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 40' ' ' LYS . . . -125.63 128.66 48.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.543 172.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.664 HG12 HD12 ' A' ' 95' ' ' LEU . 13.4 p -115.57 147.47 18.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.929 0.395 . . . . 0.0 110.498 -176.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.6 ' HA ' ' O ' ' A' ' 79' ' ' SER . 71.1 m -128.29 124.88 37.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' N ' HD11 ' A' ' 50' ' ' LEU . 5.0 mp -106.27 146.66 30.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.597 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -59.33 -49.23 78.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.924 0.392 . . . . 0.0 110.442 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.3 t -173.9 143.01 0.92 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.281 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.609 ' HB2' ' HB2' ' A' ' 56' ' ' LEU . 54.3 m -157.29 135.47 7.43 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.981 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.47 -57.48 0.87 Allowed 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.921 2.414 . . . . 0.0 113.21 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.63 -34.57 75.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.543 0.211 . . . . 0.0 110.998 -176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.609 ' HB2' ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -63.77 -39.86 95.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.698 0.285 . . . . 0.0 110.679 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.514 ' O ' ' HD2' ' A' ' 61' ' ' ARG . . . -68.47 -37.3 80.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.226 176.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.79 -42.27 99.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.421 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -52.85 -34.84 56.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 1.106 ' HA ' HG12 ' A' ' 67' ' ' VAL . 4.2 tt -64.11 -42.9 96.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.313 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.514 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 1.7 mpt_? -75.6 -36.59 60.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.833 0.349 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -77.39 -63.29 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.436 ' O ' HG11 ' A' ' 67' ' ' VAL . 24.2 mm-40 -118.98 105.74 11.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.564 0.221 . . . . 0.0 111.466 -171.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -79.77 8.15 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.4 m -110.77 -20.87 12.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.059 0.457 . . . . 0.0 110.901 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.86 -24.9 24.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.055 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 1.106 HG12 ' HA ' ' A' ' 60' ' ' LEU . 14.7 p -112.23 136.47 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.264 177.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -134.17 87.09 34.8 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -80.29 127.46 6.69 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.026 2.484 . . . . 0.0 111.8 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.9 p -126.8 141.86 51.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.876 0.37 . . . . 0.0 110.532 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -80.48 31.6 0.29 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.299 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -67.1 -19.31 65.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.25 0.548 . . . . 0.0 109.6 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.1 mt -140.81 -63.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.628 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -156.36 123.99 5.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -85.32 -28.68 25.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.178 -172.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.96 -36.08 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -169.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -88.07 -27.99 21.62 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.19 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -106.03 164.53 11.9 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.6 ' O ' ' HA ' ' A' ' 49' ' ' SER . 14.8 m -125.44 126.83 45.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.031 0.443 . . . . 0.0 109.991 177.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -109.26 114.97 29.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.401 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' HB ' ' CG1' ' A' ' 48' ' ' VAL . 60.8 t -103.88 115.95 46.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.031 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -86.35 113.46 22.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.116 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.635 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 82.0 mt -81.16 70.22 7.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.793 0.806 . . . . 0.0 109.257 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -145.06 96.7 2.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.463 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.83 -53.51 4.69 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.137 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.3 m -81.97 140.53 33.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.425 0.155 . . . . 0.0 111.314 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.495 HD22 ' HG3' ' A' ' 91' ' ' GLN . 80.0 mt 71.05 128.93 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.371 0 O-C-N 124.122 0.889 . . . . 0.0 112.521 176.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -83.9 -177.86 3.29 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.046 2.498 . . . . 0.0 112.6 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -58.96 -37.92 77.89 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.169 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -53.92 -40.76 67.0 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.726 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.61 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 27.0 mm-40 -67.31 -35.83 80.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 95' ' ' LEU . 36.6 mt -62.67 -39.38 84.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 -177.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -60.33 -46.2 90.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.095 0.474 . . . . 0.0 110.091 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -68.56 -33.21 73.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.031 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.664 HD12 HG12 ' A' ' 48' ' ' VAL . 96.3 mt -54.48 -47.8 72.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.137 0.494 . . . . 0.0 110.902 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.528 HG22 HD11 ' A' ' 6' ' ' LEU . 89.5 t -75.92 -44.39 38.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.695 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -60.73 -52.61 64.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.671 -175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.85 95.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.745 0.307 . . . . 0.0 111.244 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.702 ' HA ' HE21 ' A' ' 102' ' ' GLN . 31.4 m -63.67 -45.01 92.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.444 ' O ' HG22 ' A' ' 104' ' ' VAL . 76.3 t80 -64.79 -44.35 90.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.576 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -61.96 -49.5 75.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.473 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.702 HE21 ' HA ' ' A' ' 99' ' ' SER . 29.1 pt20 -63.1 -32.72 74.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.054 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -67.35 -38.51 84.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.45 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 100' ' ' TYR . 97.5 t -66.18 -35.86 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.84 -24.08 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.853 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 94.8 mt -87.69 -7.61 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.788 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 92.4 mt -82.43 149.91 62.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.644 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.41 163.75 22.71 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.966 2.444 . . . . 0.0 112.381 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 5.0 tp10 -52.53 -47.73 66.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.944 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.524 ' HA ' ' HE2' ' A' ' 113' ' ' LYS . 34.3 tt0 -51.63 -50.31 60.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.017 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.7 -44.21 82.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.547 -174.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 116' ' ' VAL . 30.0 mtm180 -62.89 -41.13 99.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.256 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 110' ' ' GLU . 46.8 mtmt -61.37 -33.61 73.94 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.782 0.325 . . . . 0.0 110.993 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 71.4 mt -71.59 -42.39 67.8 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.778 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.443 HD23 HD11 ' A' ' 118' ' ' LEU . 98.6 mt -62.13 -28.5 69.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.584 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 112' ' ' ARG . 85.7 t -70.05 -35.3 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 0.0 110.692 177.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -75.19 -28.52 60.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.478 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 92.3 mt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.205 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.566 ' HE2' ' HB2' ' A' ' 6' ' ' LEU . 3.7 tmm? . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.42 159.93 14.99 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.138 -175.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.448 HD12 HD12 ' A' ' 83' ' ' LEU . 48.8 mm -54.86 -40.89 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.32 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -35.49 73.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.179 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -77.2 -36.3 54.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.016 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.566 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 3.0 tm? -61.91 -41.1 97.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.582 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 91.1 mt -59.42 -39.18 82.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.951 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -73.01 -38.65 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.461 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -58.83 -37.35 76.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.073 0.464 . . . . 0.0 110.983 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.5 m -68.49 -18.9 64.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.315 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.436 ' HE1' ' HG3' ' A' ' 18' ' ' GLN . 23.2 mmt -77.86 -5.82 52.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.984 0.421 . . . . 0.0 110.816 178.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.18 -10.03 37.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.188 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 75.6 mmtt -95.88 122.12 59.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.018 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD2' ' OH ' ' A' ' 100' ' ' TYR . 28.1 Cg_exo -62.07 128.1 23.12 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.463 2.109 . . . . 0.0 112.378 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.83 -18.34 56.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.999 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.92 119.66 25.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 110.899 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -131.55 145.89 51.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.186 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HG3' ' HE1' ' A' ' 11' ' ' MET . 79.2 mt-30 -90.75 122.17 33.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.187 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -136.49 137.54 40.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.83 109.34 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.846 0.831 . . . . 0.0 109.808 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -101.08 133.83 45.0 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.898 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -52.19 114.51 1.36 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.795 0.684 . . . . 0.0 110.138 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -168.44 -103.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.216 -170.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.589 ' HZ2' ' HB3' ' A' ' 72' ' ' HIS . 34.0 m0 -116.66 21.09 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 170.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 58.09 82.93 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.164 -163.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.547 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -133.64 148.52 51.53 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.279 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.3 m -79.63 116.6 19.92 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.15 0.5 . . . . 0.0 109.868 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.496 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 79.6 mt-30 -117.72 114.02 22.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.947 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.8 mt -93.07 108.32 20.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.297 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.59 154.11 51.13 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.579 -172.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 32' ' ' GLU . 6.2 t -86.13 174.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 169.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' HG3' ' HD3' ' A' ' 111' ' ' LYS . 10.7 mm-40 -26.78 -52.52 0.06 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -134.67 3.58 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.279 0.562 . . . . 0.0 110.92 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -108.63 101.01 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.449 . . . . 0.0 111.728 -171.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.434 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 69.0 tp -87.84 102.17 14.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -100.75 -18.64 16.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.522 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.22 118.53 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.313 0.577 . . . . 0.0 111.173 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.713 ' HE3' ' HD2' ' A' ' 40' ' ' LYS . 24.2 ptm -128.79 131.9 47.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.985 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.547 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 12.3 p -104.83 127.55 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.309 0.576 . . . . 0.0 110.133 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.724 ' HE2' HD12 ' A' ' 73' ' ' LEU . 25.3 mtpp -127.17 111.03 13.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.695 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.486 ' OE2' ' HA ' ' A' ' 44' ' ' ASN . 32.0 tt0 -78.68 111.88 15.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 p -108.95 111.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.55 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 61.52 36.76 16.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.687 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.486 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 2.4 t-20 73.35 13.69 4.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.375 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 45' ' ' ARG . 51.7 mtt180 -102.72 126.7 32.02 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.556 173.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -72.18 110.98 3.08 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.506 2.138 . . . . 0.0 112.226 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.39 135.18 54.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.259 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -116.69 138.52 47.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.413 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t -120.19 132.06 55.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.916 0.388 . . . . 0.0 110.261 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.991 ' HB2' HD13 ' A' ' 56' ' ' LEU . 8.7 mp -113.64 172.8 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.431 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.434 ' HE2' ' O ' ' A' ' 35' ' ' LEU . 67.4 mttm -74.56 167.13 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 170.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.9 m -67.15 97.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.109 0.481 . . . . 0.0 109.787 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.0 m -116.56 151.24 46.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.909 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 37.9 Cg_exo -57.57 -37.17 97.91 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.686 2.257 . . . . 0.0 112.03 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -63.89 -42.76 97.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.785 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.991 HD13 ' HB2' ' A' ' 50' ' ' LEU . 12.9 mt -64.25 -36.78 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.026 175.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -62.27 -35.56 79.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.93 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 38.7 mt-10 -55.89 -54.31 46.2 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.965 0.412 . . . . 0.0 110.476 177.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.6 mp -56.4 -40.32 74.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.758 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.9 tp -68.49 -31.88 71.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.529 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 57' ' ' ALA . 37.8 mmt180 -74.75 -33.82 62.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.043 0.449 . . . . 0.0 110.689 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -86.65 -33.21 20.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.489 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 62.19 24.76 14.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.859 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -101.23 19.69 17.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.701 0.763 . . . . 0.0 109.512 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.679 ' HB3' HD22 ' A' ' 87' ' ' LEU . 34.7 m -150.15 159.32 44.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.525 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -82.98 119.42 24.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.94 0.4 . . . . 0.0 110.897 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.12 125.23 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.414 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.77 146.11 58.87 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.105 177.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.13 70.64 5.33 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.044 2.496 . . . . 0.0 112.422 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 34.2 m 59.99 -176.97 0.1 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.439 176.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.607 ' HA ' ' NE ' ' A' ' 71' ' ' ARG . 4.7 mmp_? -124.83 -74.03 0.62 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.175 172.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.589 ' HB3' ' HZ2' ' A' ' 24' ' ' TRP . 46.8 t-80 -95.41 -15.47 22.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.255 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.724 HD12 ' HE2' ' A' ' 40' ' ' LYS . 5.7 mp -61.4 -73.73 0.09 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 -175.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -160.43 167.97 26.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -80.44 -27.68 37.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.856 0.36 . . . . 0.0 110.686 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.5 177.59 7.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 75.17 -48.91 0.64 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.554 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -86.99 134.06 33.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.752 0.311 . . . . 0.0 110.286 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.594 ' HB2' HD11 ' A' ' 56' ' ' LEU . 15.4 m -125.64 126.37 44.61 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.6 m -111.68 129.47 56.09 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.3 -172.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.5 t -111.4 128.91 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.842 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -91.8 115.71 28.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.941 0.4 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.448 HD12 HD12 ' A' ' 3' ' ' ILE . 89.4 mt -81.31 77.85 8.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.556 0.693 . . . . 0.0 110.751 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -127.08 -29.7 2.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.827 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.44 -160.65 19.38 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.466 ' OG ' ' HA ' ' A' ' 65' ' ' SER . 23.2 t 72.03 -66.57 0.3 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.376 0.67 . . . . 0.0 111.443 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 65' ' ' SER . 2.8 mm? -95.83 124.14 53.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.542 0.211 . . . . 0.0 110.883 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.463 ' HD2' ' HG3' ' A' ' 91' ' ' GLN . 63.2 Cg_endo -75.72 -178.31 4.22 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.606 2.204 . . . . 0.0 112.363 174.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.548 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 8.9 p-10 -59.43 -36.26 75.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.266 -175.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -67.7 -38.31 83.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.81 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.463 ' HG3' ' HD2' ' A' ' 88' ' ' PRO . 15.9 mm100 -65.46 -31.94 73.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.369 -177.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.58 -44.97 94.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.635 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -63.71 -36.3 83.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -59.35 -42.18 90.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.072 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.09 -43.28 58.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.16 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.6 t -63.27 -47.64 91.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.378 -177.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -65.63 -38.82 90.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.023 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.44 98.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t -67.45 -32.09 72.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.154 0.502 . . . . 0.0 110.116 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.424 ' O ' HG22 ' A' ' 104' ' ' VAL . 69.2 t80 -70.13 -41.79 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.428 176.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -60.7 -49.14 78.7 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.577 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.51 ' HG3' ' N ' ' A' ' 103' ' ' ALA . 1.7 pt20 -63.03 -40.11 96.75 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.492 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -57.94 -45.51 86.49 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.312 -178.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 100' ' ' TYR . 98.8 t -63.81 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -77.09 -16.13 59.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.587 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 86.0 mt -93.49 -4.9 50.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.699 0.285 . . . . 0.0 111.022 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 84.2 mt -75.82 152.63 84.91 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.894 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.39 154.35 64.5 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.282 1.988 . . . . 0.0 110.633 171.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.31 -45.21 68.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.378 0.424 . . . . 0.0 111.818 -172.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.522 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 1.9 tm-20 -55.5 -47.25 76.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.6 ' HD3' ' HG3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -72.37 -42.89 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.599 . . . . 0.0 110.428 -178.642 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.422 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.8 tmm_? -60.34 -47.74 84.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.867 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.424 ' HD3' ' HA ' ' A' ' 113' ' ' LYS . 66.9 mmtt -63.67 -31.28 72.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.924 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.576 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 54.2 mt -59.43 -48.93 79.74 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.745 0.307 . . . . 0.0 110.81 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 mt -69.99 -26.78 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.262 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.9 t -76.16 -38.44 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.218 0.532 . . . . 0.0 110.838 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -71.79 -27.74 63.15 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.003 -178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 90.9 mt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.078 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.546 ' HB3' ' HB2' ' A' ' 89' ' ' ASP . 5.6 tmm? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.56 171.95 8.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.639 -169.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.526 ' HA ' ' HB2' ' A' ' 6' ' ' LEU . 49.9 mm -53.13 -35.48 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 123.487 0.715 . . . . 0.0 112.659 -174.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 p -56.29 -39.92 73.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.102 0.477 . . . . 0.0 110.8 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 36.3 mt-10 -78.21 -31.47 49.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.359 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.526 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 1.5 mm? -61.03 -35.75 77.71 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.279 178.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 7' ' ' LEU . 1.3 tm? -54.87 -50.52 68.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.46 . . . . 0.0 109.924 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -67.45 -36.96 82.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.747 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -64.68 -36.37 84.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.98 -33.37 73.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.037 0.446 . . . . 0.0 110.469 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.648 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 28.0 mmt -80.14 -1.34 39.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -2.65 58.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.201 0.524 . . . . 0.0 109.875 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.59 103.63 33.31 Favored Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.479 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.9 119.08 6.0 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.857 2.371 . . . . 0.0 112.839 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.52 -25.62 9.02 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.989 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.48 123.67 32.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.775 0.321 . . . . 0.0 110.331 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -115.15 124.36 51.3 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 4.2 pp0? -96.43 155.72 16.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.367 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -153.9 104.69 2.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.364 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.559 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.6 p -79.23 112.35 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.483 0.658 . . . . 0.0 110.127 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -86.94 125.69 34.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.773 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -79.67 16.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.507 0.67 . . . . 0.0 110.577 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.24 -55.61 11.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.731 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.0 p-90 -140.06 16.53 2.45 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.138 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 61.91 84.08 0.14 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.995 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.14 136.36 17.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.285 -1.325 . . . . 0.0 108.907 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 27.3 m -99.71 117.53 34.25 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.224 0.535 . . . . 0.0 110.828 -177.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -88.04 112.88 23.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.739 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.428 HG12 ' HB3' ' A' ' 18' ' ' GLN . 39.8 mt -107.42 108.37 25.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.0 0.428 . . . . 0.0 109.851 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -141.29 169.44 17.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.729 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.404 HG11 ' H ' ' A' ' 32' ' ' GLU . 1.9 t -86.79 -141.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 172.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' H ' HG11 ' A' ' 31' ' ' VAL . 39.7 mt-10 -67.21 -49.8 63.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.09 -0.381 . . . . 0.0 110.678 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -142.01 16.14 2.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.548 0.69 . . . . 0.0 110.436 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.3 t -113.22 108.95 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.836 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.0 tp -93.93 114.15 26.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.962 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -106.04 -32.14 8.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.52 155.18 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.066 0.46 . . . . 0.0 111.314 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.434 ' O ' ' HG3' ' A' ' 38' ' ' MET . 14.0 ptp -138.79 119.74 14.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.329 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 14.9 p -87.14 137.19 21.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -153.92 136.37 15.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.847 0.356 . . . . 0.0 111.745 -166.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -93.03 110.48 21.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -126.19 135.89 62.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.864 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 60.53 25.04 14.69 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -169.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.9 t30 61.3 23.67 13.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.452 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' HB2' ' HE1' ' A' ' 82' ' ' TYR . 19.9 mmt180 -114.09 134.67 22.14 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.77 177.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -70.02 121.19 7.83 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.238 1.959 . . . . 0.0 111.896 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.69 169.88 16.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.162 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.48 134.58 30.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.956 0.408 . . . . 0.0 110.57 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.2 m -106.32 120.11 41.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.107 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.499 HD22 ' HG ' ' A' ' 56' ' ' LEU . 5.9 mp -98.55 145.95 26.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.842 ' HE2' ' HA ' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -95.26 -17.94 21.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.917 0.389 . . . . 0.0 110.185 178.07 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.611 HG23 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -126.58 -160.15 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.252 -176.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.611 ' H ' HG23 ' A' ' 52' ' ' THR . 37.3 t 75.66 113.4 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.253 0 C-N-CA 123.879 0.871 . . . . 0.0 111.543 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.08 -21.59 13.76 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.892 2.395 . . . . 0.0 111.928 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -75.21 -36.15 61.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.484 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.499 ' HG ' HD22 ' A' ' 50' ' ' LEU . 3.9 mm? -62.9 -35.92 81.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.873 0.368 . . . . 0.0 110.331 175.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.678 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -62.32 -39.6 93.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.508 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.49 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.98 -31.57 71.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.458 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.6 tp -72.89 -40.58 65.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.427 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.678 ' HG2' ' O ' ' A' ' 57' ' ' ALA . 31.9 mmt180 -73.8 -50.61 19.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.772 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.65 -55.32 5.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.187 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.52 ' O ' HG11 ' A' ' 67' ' ' VAL . 19.2 mm-40 -93.15 54.42 2.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.053 0.454 . . . . 0.0 110.655 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -77.21 44.33 0.41 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.242 -174.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 t -165.37 -39.27 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' HB3' ' HB3' ' A' ' 63' ' ' GLN . 27.1 t70 -65.35 -46.89 78.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.201 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.52 HG11 ' O ' ' A' ' 63' ' ' GLN . 11.1 p -73.04 -41.55 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.902 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' O ' ' HD2' ' A' ' 82' ' ' TYR . 16.3 ttp180 59.05 103.36 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 123.449 0.699 . . . . 0.0 112.006 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.487 ' HA ' ' HB ' ' A' ' 80' ' ' THR . 86.2 Cg_endo -79.54 179.44 6.34 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.553 2.169 . . . . 0.0 112.17 177.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.5 p -90.5 110.88 21.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.185 0.517 . . . . 0.0 110.52 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 ttm180 -62.46 -24.57 67.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.109 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -72.63 -19.59 61.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.267 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.9 mt -121.88 -177.42 3.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.854 0.359 . . . . 0.0 110.927 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -72.31 102.42 3.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.647 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -67.74 -24.28 65.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.988 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.96 40.03 1.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.022 0.439 . . . . 0.0 110.722 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -152.12 -38.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -108.13 170.23 8.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.782 168.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 m -125.32 126.29 44.84 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.487 ' HB ' ' HA ' ' A' ' 69' ' ' PRO . 25.4 m -128.19 130.06 47.44 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.841 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.1 122.01 68.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.98 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.492 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . 7.7 m-85 -77.35 118.94 20.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.295 0.569 . . . . 0.0 110.58 177.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.4 mt -97.78 30.78 2.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.689 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.492 ' OD1' ' HB3' ' A' ' 82' ' ' TYR . 5.6 p-10 -76.38 0.18 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.214 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.38 -15.04 3.69 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.227 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.0 t -63.84 -55.27 24.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.906 0.384 . . . . 0.0 110.306 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.421 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 4.0 mm? -96.65 141.36 22.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.034 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 10.9 Cg_exo -71.11 161.3 46.42 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.988 2.458 . . . . 0.0 112.44 -178.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.546 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 4.5 p30 -64.85 -24.69 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.237 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 p -64.92 -28.44 69.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.097 0.475 . . . . 0.0 110.911 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -73.18 -32.32 64.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.707 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.9 mt -61.61 -35.9 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -54.14 -48.86 70.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.1 0.476 . . . . 0.0 110.867 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.68 -43.52 97.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.848 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.23 -41.34 98.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.472 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -77.46 -51.9 17.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.801 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.42 -42.95 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.143 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -62.79 -41.99 99.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.612 0.244 . . . . 0.0 111.485 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.505 ' HA ' HE21 ' A' ' 102' ' ' GLN . 50.7 m -62.91 -41.36 99.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 110.909 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.48 ' O ' HG21 ' A' ' 104' ' ' VAL . 32.8 t80 -62.76 -48.07 80.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.735 178.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -57.42 -44.46 84.63 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.177 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.505 HE21 ' HA ' ' A' ' 99' ' ' SER . 48.0 mt-30 -57.38 -44.61 84.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.025 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.498 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.64 -39.92 94.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.416 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 100' ' ' TYR . 91.0 t -63.37 -42.98 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.182 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -69.82 -18.67 63.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.382 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 95.4 mt -90.57 -8.56 49.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.98 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 87.3 mt -84.92 155.54 61.17 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.913 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.84 160.24 26.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.987 2.458 . . . . 0.0 112.312 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.2 mm-40 -54.31 -48.29 71.48 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.967 -176.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' CD ' ' H ' ' A' ' 110' ' ' GLU . 4.8 mp0 -53.05 -50.14 64.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.152 0.501 . . . . 0.0 111.044 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -67.47 -40.17 85.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.131 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.429 ' O ' HG21 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -60.32 -35.97 76.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.59 -176.493 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 71.5 mmtt -58.94 -47.82 83.69 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.197 0.523 . . . . 0.0 110.976 -177.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.28 -44.77 95.06 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.849 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 44.2 mt -64.69 -31.75 73.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.341 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 112' ' ' ARG . 86.5 t -78.23 -32.29 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.938 0.399 . . . . 0.0 110.975 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -74.98 -28.31 60.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.243 -176.418 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.516 ' HE3' ' HB2' ' A' ' 89' ' ' ASP . 20.9 ptp . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.7 0.286 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -117.37 -179.21 3.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.4 mm -64.47 -31.03 51.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.2 -173.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -63.05 -47.66 82.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.544 0.212 . . . . 0.0 110.924 -175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.07 -41.93 99.54 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.249 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.64 -41.53 86.22 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.628 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.99 -45.47 92.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.995 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -58.78 -39.39 80.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.03 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -61.81 -45.04 95.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.649 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.0 m -61.92 -36.35 81.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.284 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.564 ' HA ' ' HE1' ' A' ' 11' ' ' MET . 30.9 mmt -70.23 -18.05 63.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 111.12 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.16 59.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.219 0.533 . . . . 0.0 110.482 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 72.8 mmtt -94.64 117.04 66.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 24.3 Cg_exo -61.93 113.47 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.683 2.255 . . . . 0.0 111.968 -177.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 112.06 -18.3 23.91 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 176.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.97 113.97 12.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.703 0.287 . . . . 0.0 110.47 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -113.9 154.71 27.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.303 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.3 140.2 29.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.118 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.1 m -147.57 109.39 4.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.714 0.292 . . . . 0.0 110.944 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -95.86 124.14 48.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.268 0.556 . . . . 0.0 110.12 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -101.25 121.74 42.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.019 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -70.84 96.35 1.25 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.942 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 175.12 -71.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -80.8 -22.4 40.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.445 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.4 tttt 67.04 19.18 10.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.84 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 169.69 11.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.9 m -110.32 117.87 34.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.129 0.49 . . . . 0.0 110.324 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -92.06 131.73 37.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.068 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.9 mt -104.13 110.11 29.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.57 162.22 33.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.39 -175.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG13 HD11 ' A' ' 107' ' ' LEU . 2.1 t -94.57 -134.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -56.34 -66.38 0.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.075 0.464 . . . . 0.0 111.338 176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -135.77 8.61 3.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.672 0.749 . . . . 0.0 109.597 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.14 103.71 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.109 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.8 tp -84.07 128.43 34.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.46 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 37.0 p90 -119.8 -34.44 3.75 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.351 -0.54 . . . . 0.0 112.387 -177.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.33 158.64 43.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.766 0.317 . . . . 0.0 111.097 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.2 ptp -147.02 130.32 16.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.382 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.18 121.91 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.98 117.92 14.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.626 -173.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -78.56 124.46 28.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.786 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.91 136.82 19.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 66.04 31.49 8.96 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 67.0 31.13 7.14 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.543 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -144.54 110.26 4.9 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.775 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.581 ' HA ' ' HA ' ' A' ' 41' ' ' GLU . 14.7 Cg_exo -68.52 114.92 3.65 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.733 2.289 . . . . 0.0 111.473 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.83 155.11 45.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.441 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.97 134.5 59.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.124 0.487 . . . . 0.0 110.458 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.3 m -103.0 122.64 45.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.746 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mp -110.04 178.95 4.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.387 177.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 36' ' ' PHE . 99.6 mttt -91.6 176.85 6.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.883 0.373 . . . . 0.0 110.595 177.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -72.82 89.55 1.38 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.182 173.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.802 ' HB2' HD23 ' A' ' 56' ' ' LEU . 11.8 m -113.45 165.06 14.16 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.3 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 53' ' ' SER . 40.3 Cg_exo -36.06 -67.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.743 2.962 . . . . 0.0 114.389 -176.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' HG2' ' HE2' ' A' ' 94' ' ' TYR . 8.6 mp0 -67.04 -34.65 78.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.802 HD23 ' HB2' ' A' ' 53' ' ' SER . 3.6 mm? -68.57 -41.36 79.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.902 0.382 . . . . 0.0 110.935 -177.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.46 -47.54 72.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.009 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -60.05 -38.66 83.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.167 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 63' ' ' GLN . 45.7 tp -52.42 -50.96 61.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.663 175.111 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.03 -30.05 68.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.052 0.453 . . . . 0.0 111.054 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -73.26 -44.11 59.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.603 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.95 -50.63 4.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.593 ' HG3' HD11 ' A' ' 59' ' ' LEU . 15.1 mm100 -74.69 97.76 3.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 0.0 111.037 -174.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -85.45 -20.84 29.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.643 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.7 m -104.86 -177.6 3.41 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.394 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.51 -71.9 0.11 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.53 0.519 . . . . 0.0 112.175 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.24 124.78 22.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.737 0.78 . . . . 0.0 111.408 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -113.82 102.48 54.85 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.071 175.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.27 89.09 0.47 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.664 2.242 . . . . 0.0 112.16 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.477 ' HB2' ' HE1' ' A' ' 82' ' ' TYR . 20.6 t -92.43 69.1 4.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.659 0.742 . . . . 0.0 109.708 -178.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HB3' ' HD2' ' A' ' 75' ' ' LYS . 23.4 tpt180 -124.69 109.52 13.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.815 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -83.94 -15.69 46.96 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.1 mt -89.59 -158.33 0.51 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.313 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -50.2 113.8 0.95 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.407 ' HD2' ' HB3' ' A' ' 71' ' ' ARG . 7.3 mmmm -75.06 -51.86 12.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.749 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.52 66.11 9.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.043 0.449 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -176.3 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.129 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -120.63 136.84 54.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.365 176.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 17.5 m -125.2 126.41 45.18 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.446 0.641 . . . . 0.0 110.132 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.1 m -94.26 114.63 26.76 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.507 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 87' ' ' LEU . 59.1 t -87.48 116.1 29.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.199 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.477 ' HE1' ' HB2' ' A' ' 70' ' ' SER . 0.7 OUTLIER -71.88 118.38 14.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.891 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.4 mt -86.98 12.64 10.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.434 0.635 . . . . 0.0 109.953 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -83.96 72.18 10.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.054 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.38 38.51 95.03 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.462 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 t -109.52 -81.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.79 0.295 . . . . 0.0 110.667 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.423 HD11 HG11 ' A' ' 81' ' ' VAL . 74.8 mt -87.19 144.12 35.7 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 120.699 0.285 . . . . 0.0 110.783 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.95 166.26 29.63 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.775 2.317 . . . . 0.0 112.582 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.516 ' HB2' ' HE3' ' A' ' 1' ' ' MET . 11.5 p-10 -67.25 -26.53 66.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.885 -178.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 p -68.84 -29.25 67.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.026 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -70.51 -32.04 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.303 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 96' ' ' VAL . 49.8 mm -56.2 -41.82 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.203 -177.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -57.5 -42.81 83.49 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.402 ' HE2' ' HG2' ' A' ' 55' ' ' GLU . 66.0 t80 -71.53 -40.01 70.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.726 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.71 -43.96 97.84 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.352 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 92' ' ' ILE . 93.0 t -62.84 -52.38 60.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.035 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.54 -37.01 85.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.487 -177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.51 91.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.864 0.364 . . . . 0.0 111.093 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -76.07 -34.35 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.778 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.464 ' O ' HG23 ' A' ' 104' ' ' VAL . 54.4 t80 -73.14 -42.51 62.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.024 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -59.23 -50.29 74.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.79 0.328 . . . . 0.0 111.275 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.45 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 11.8 pt20 -59.7 -32.52 70.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.38 -42.41 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.626 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.49 ' HA ' HD13 ' A' ' 107' ' ' LEU . 84.5 t -62.43 -35.49 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.051 0.453 . . . . 0.0 110.681 178.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.77 -17.12 63.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.914 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 87.7 mt -97.54 -4.34 38.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.916 0.389 . . . . 0.0 110.555 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 104' ' ' VAL . 94.4 mt -84.6 151.43 58.6 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.629 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.33 169.74 17.67 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.904 2.402 . . . . 0.0 112.78 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' HG2' ' NH2' ' A' ' 112' ' ' ARG . 0.4 OUTLIER -54.16 -49.13 69.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.421 -177.577 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -52.14 -53.25 45.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.716 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.628 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 13.9 mptt -63.08 -43.34 98.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.831 -173.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.418 ' O ' HG22 ' A' ' 116' ' ' VAL . 18.1 mtm180 -62.94 -41.69 99.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -69.48 -32.16 70.89 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.739 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.77 -40.88 79.49 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 79.3 mt -59.98 -34.66 73.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 112' ' ' ARG . 52.6 t -70.2 -29.25 38.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.294 0.569 . . . . 0.0 110.854 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -76.45 -28.85 56.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.119 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.109 -175.029 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.99 148.58 27.54 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.529 HD12 ' HB2' ' A' ' 46' ' ' PRO . 41.0 mm -63.16 -29.97 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.411 -176.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -58.36 -38.51 77.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.788 0.328 . . . . 0.0 110.706 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.88 -41.33 82.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.207 0.527 . . . . 0.0 110.278 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.46 -42.17 99.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.681 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 88.9 mt -64.44 -40.11 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.05 -39.65 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.942 0.401 . . . . 0.0 109.925 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -64.7 -35.66 81.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.935 177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.9 m -73.04 -27.02 61.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 110.846 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.529 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 1.6 mmt -71.36 -11.73 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.839 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.7 -1.02 57.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.526 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -96.3 115.74 65.77 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.03 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.94 131.82 26.54 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.912 2.408 . . . . 0.0 112.251 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.82 -0.15 89.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.561 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.07 125.34 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.007 0.432 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -106.65 124.24 49.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.723 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.13 120.47 37.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.159 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 m -125.74 104.36 8.31 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.397 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.576 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 5.5 p -79.92 123.12 36.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.127 0.489 . . . . 0.0 109.754 175.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -98.81 137.49 37.31 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -70.95 -169.36 0.35 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 73.07 -66.28 0.32 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.577 0.751 . . . . 0.0 109.937 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -94.95 -16.29 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.5 mttt 59.52 26.49 15.48 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.546 0.689 . . . . 0.0 110.587 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.57 127.08 32.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.073 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.576 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 16.6 m -89.8 117.37 28.59 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.893 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -95.44 128.65 42.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.598 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 mt -103.84 113.12 39.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 33' ' ' ASP . 22.3 ptmt -131.52 163.82 27.17 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.443 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -90.28 -134.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -48.01 -63.1 1.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.164 0.507 . . . . 0.0 109.958 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.7 t70 -145.9 8.75 1.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.712 0.768 . . . . 0.0 109.46 170.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.6 t -85.74 105.99 14.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.424 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 tp -86.81 127.25 35.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.831 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -118.85 -32.43 4.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.009 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.67 162.77 39.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.728 0.299 . . . . 0.0 110.854 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.6 ' HE1' ' HD3' ' A' ' 40' ' ' LYS . 25.5 ptt? -156.21 146.57 21.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 178.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.445 HG23 HD11 ' A' ' 3' ' ' ILE . 7.5 p -105.0 127.76 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.083 0.468 . . . . 0.0 110.422 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.6 ' HD3' ' HE1' ' A' ' 38' ' ' MET . 7.6 mtmp? -121.04 123.35 42.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 -175.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.86 111.89 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -146.02 128.61 9.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.085 -177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.9 OUTLIER 63.39 31.35 15.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.699 178.734 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.503 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 8.1 t30 78.48 -2.69 2.35 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.981 0.8 . . . . 0.0 110.865 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -100.0 111.16 61.57 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.674 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.529 ' HB2' HD12 ' A' ' 3' ' ' ILE . 58.1 Cg_endo -83.7 107.39 1.36 Allowed 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.379 2.053 . . . . 0.0 110.537 172.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 82' ' ' TYR . . . -124.34 163.02 22.58 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.358 -173.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.49 132.24 66.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.099 0.476 . . . . 0.0 110.856 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 20.4 m -97.75 129.29 44.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.119 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.37 163.36 12.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.991 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' HG2' ' H ' ' A' ' 52' ' ' THR . 60.8 tttt -92.4 -144.95 0.21 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.985 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.479 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 17.4 p -76.61 73.24 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.282 0.563 . . . . 0.0 109.785 174.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 15.2 m -109.79 140.31 22.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.599 -173.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 22.4 Cg_exo -65.85 -22.17 56.73 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.104 2.536 . . . . 0.0 111.989 176.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.54 ' HG3' ' CE2' ' A' ' 94' ' ' TYR . 9.6 mp0 -54.31 -41.57 69.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.12 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.82 -32.59 73.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.979 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.21 -35.13 63.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.934 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -62.55 -46.21 89.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.347 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.3 mt -52.31 -47.87 65.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.117 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.453 HD23 ' O ' ' A' ' 60' ' ' LEU . 6.7 tt -55.3 -36.99 66.78 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.644 0.59 . . . . 0.0 111.761 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -75.41 -25.59 57.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.385 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.25 -59.95 1.73 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.141 -175.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -116.22 -173.26 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.449 ' O ' ' HB2' ' A' ' 65' ' ' SER . 47.8 m80 -140.68 177.95 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 71.3 m 69.8 14.24 8.04 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.481 0.657 . . . . 0.0 109.994 -173.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' OD2' HG23 ' A' ' 67' ' ' VAL . 12.3 p-10 -97.48 178.42 5.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.546 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.436 HG23 ' OD2' ' A' ' 66' ' ' ASP . 53.6 t 52.17 76.63 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 121.491 0.662 . . . . 0.0 111.203 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -109.88 102.87 51.96 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.495 ' HA ' ' HA ' ' A' ' 79' ' ' SER . 22.4 Cg_endo -61.44 -37.66 69.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 123.013 2.476 . . . . 0.0 113.307 -173.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.7 m 57.46 78.91 0.21 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -168.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.09 9.07 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.72 -168.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -70.45 -28.0 64.68 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 171.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.3 mt -86.64 -78.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.709 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -166.98 113.01 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -51.21 -62.3 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.786 0.679 . . . . 0.0 112.59 -168.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.1 78.46 1.52 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.166 0.508 . . . . 0.0 111.058 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -170.97 -44.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.333 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -124.35 127.16 47.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.627 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.495 ' HA ' ' HA ' ' A' ' 69' ' ' PRO . 32.2 t -127.16 136.46 52.11 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 9.4 m -107.93 128.93 55.07 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.988 0.423 . . . . 0.0 111.5 -173.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.69 103.84 15.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.529 ' CE1' ' HB ' ' A' ' 80' ' ' THR . 78.7 m-85 -85.6 128.43 34.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.743 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.15 34.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.31 0.576 . . . . 0.0 110.615 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.492 ' H ' ' C ' ' A' ' 82' ' ' TYR . 36.8 t70 -85.48 -14.12 47.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.091 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.22 -147.99 11.75 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.645 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.9 m -85.33 85.83 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.851 0.357 . . . . 0.0 111.153 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.07 112.8 31.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.429 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -74.09 161.09 41.66 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.771 2.314 . . . . 0.0 112.248 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.68 -39.57 84.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.053 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.6 m -62.55 -28.81 70.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.409 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -70.12 -33.08 71.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.033 0.444 . . . . 0.0 110.697 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.56 -38.44 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.782 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -59.85 -49.49 77.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CE2' ' HG3' ' A' ' 55' ' ' GLU . 77.0 t80 -64.28 -44.48 91.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.067 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.9 mt -56.45 -42.59 78.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.86 0.362 . . . . 0.0 111.263 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.37 -52.86 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.479 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -70.27 -34.66 73.06 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -60.05 -35.69 75.69 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.058 0.456 . . . . 0.0 110.397 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.431 ' HA ' ' NE2' ' A' ' 102' ' ' GLN . 17.9 m -70.74 -30.26 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.25 176.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.488 ' O ' HG21 ' A' ' 104' ' ' VAL . 52.9 t80 -66.79 -45.18 79.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.337 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.43 -34.78 67.14 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.569 0.223 . . . . 0.0 111.187 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 72.7 mt-30 -60.79 -46.39 90.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.9 -40.8 75.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.087 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.488 HG21 ' O ' ' A' ' 100' ' ' TYR . 74.9 t -58.19 -45.62 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.302 -176.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.02 -16.61 59.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.85 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.0 mt -93.16 -4.86 51.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.19 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 84.6 mt -69.65 139.59 88.91 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 0.0 111.064 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.527 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 17.1 Cg_exo -68.97 -179.32 2.48 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 123.326 2.684 . . . . 0.0 113.169 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -45.46 -64.2 0.78 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.804 -1.089 . . . . 0.0 112.289 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -49.31 -52.99 24.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.092 -175.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.527 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 3.4 mptp? -63.09 -48.7 77.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.911 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.2 mmt180 -56.62 -44.41 81.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.936 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.799 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 8.1 mmpt? -53.8 -44.99 70.62 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 111.647 -177.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -36.36 82.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 -177.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 80.1 mt -77.7 -26.68 50.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.774 -175.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.1 t -80.54 -37.75 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.759 0.314 . . . . 0.0 111.232 -177.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -72.93 -28.53 62.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.795 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.753 -0.641 . . . . 0.0 110.457 179.079 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.8 p -99.96 155.83 17.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.083 0.468 . . . . 0.0 111.618 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.572 HD11 ' HB ' ' A' ' 39' ' ' VAL . 65.2 mt -64.38 -33.02 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.999 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.5 t -54.38 -41.77 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.885 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.71 -41.85 68.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.453 0.644 . . . . 0.0 109.875 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.2 -36.46 83.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.789 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 47.0 mt -54.47 -41.99 70.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.121 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -72.31 -33.07 67.1 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.533 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.65 -32.22 73.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.447 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.0 m -59.92 -35.11 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.855 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 94.1 mmm -76.87 -10.94 59.71 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.737 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.99 -6.55 57.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 9.1 mmpt? -96.68 108.08 40.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 176.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.468 ' O ' HD22 ' A' ' 115' ' ' LEU . 24.3 Cg_endo -62.0 107.79 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.632 2.221 . . . . 0.0 112.537 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 -3.43 18.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.657 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.54 117.37 31.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.752 0.31 . . . . 0.0 111.04 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -106.0 146.53 29.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.311 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -89.95 119.87 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.578 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -112.31 107.65 16.57 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.009 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.44 145.84 8.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.076 0.465 . . . . 0.0 111.143 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.55 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 11.3 m80 -126.73 162.49 25.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.319 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -82.23 -174.74 5.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.125 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.2 t70 77.96 -62.58 0.36 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.077 0.951 . . . . 0.0 111.781 177.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.51 ' HD1' ' H ' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -122.99 4.22 9.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.702 0.287 . . . . 0.0 111.342 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 42.9 tttp 57.58 38.03 27.73 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.58 172.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB3' ' HG3' ' A' ' 40' ' ' LYS . . . -68.09 140.64 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.617 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -111.04 118.45 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.111 0.481 . . . . 0.0 110.693 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -100.94 133.46 45.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.182 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.2 mt -104.72 108.83 25.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HD2' ' O ' ' A' ' 31' ' ' VAL . 3.9 pptp? -143.8 154.8 43.79 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.742 -175.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.568 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 2.2 t -81.95 -131.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.194 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -48.64 -67.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.098 0.475 . . . . 0.0 110.028 171.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.75 9.26 1.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.968 0.889 . . . . 0.0 109.102 170.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.85 97.69 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.496 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.8 tp -85.89 111.16 19.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.726 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -109.2 -12.84 14.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.657 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.37 149.98 2.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.496 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.56 136.85 23.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.043 0.449 . . . . 0.0 110.381 174.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.572 ' HB ' HD11 ' A' ' 3' ' ' ILE . 15.7 m -105.91 138.4 31.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.898 -176.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.492 ' HD3' ' C ' ' A' ' 39' ' ' VAL . 3.3 mppt? -134.36 123.55 24.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.708 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -79.07 110.76 14.61 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 169.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.456 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.5 p -127.82 121.57 56.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.794 -178.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HG3' HG22 ' A' ' 42' ' ' VAL . 31.1 mt-10 62.17 22.66 13.3 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.752 -177.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t30 66.23 21.07 11.09 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.272 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -115.21 119.87 37.76 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.86 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HB3' HG13 ' A' ' 3' ' ' ILE . 21.5 Cg_endo -61.48 117.9 4.74 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.96 2.44 . . . . 0.0 113.012 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.45 130.67 46.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.0 110.944 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -123.7 158.11 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.015 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 79' ' ' SER . 20.3 m -131.45 129.59 41.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 95' ' ' LEU . 6.8 mp -122.43 -83.64 0.66 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.23 0.331 . . . . 0.0 111.557 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.807 ' HD3' ' H ' ' A' ' 52' ' ' THR . 6.5 tmtt? 68.57 174.84 0.28 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.697 0.623 . . . . 0.0 109.408 -174.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.807 ' H ' ' HD3' ' A' ' 51' ' ' LYS . 4.0 m 61.72 26.7 16.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.8 0.81 . . . . 0.0 111.323 175.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.5 p -138.21 130.93 16.31 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -51.87 -55.32 4.02 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.388 2.725 . . . . 0.0 113.882 -173.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.87 -41.47 99.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.131 -176.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.77 -38.78 87.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.844 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.59 84.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.211 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -72.97 -44.56 60.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.043 0.449 . . . . 0.0 110.392 176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.428 ' HG ' HG11 ' A' ' 67' ' ' VAL . 38.9 tp -52.72 -46.21 67.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.278 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HA ' HG12 ' A' ' 67' ' ' VAL . 4.6 pp -71.99 -28.62 63.52 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.967 0.413 . . . . 0.0 111.182 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.177 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.66 -54.05 4.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.399 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.5 HE21 HG13 ' A' ' 67' ' ' VAL . 24.4 mt-30 -82.39 128.12 33.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.704 0.287 . . . . 0.0 110.73 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.569 ' O ' ' HD3' ' A' ' 68' ' ' ARG . 22.3 m170 -122.69 -7.28 8.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.099 0.476 . . . . 0.0 110.046 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -94.21 -34.2 12.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.553 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.63 -87.42 0.26 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.291 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.5 HG13 HE21 ' A' ' 63' ' ' GLN . 3.8 p -76.0 124.83 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.994 0.426 . . . . 0.0 109.905 175.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.569 ' HD3' ' O ' ' A' ' 64' ' ' HIS . 12.2 ptt180 -170.72 158.47 5.59 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -174.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.64 88.41 0.76 Allowed 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.489 2.126 . . . . 0.0 110.892 171.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.0 t -82.68 10.53 7.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.038 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.657 ' HD2' ' O ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER 48.27 32.37 3.12 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.232 179.354 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -75.87 -16.93 59.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.871 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.41 HD21 ' CH2' ' A' ' 24' ' ' TRP . 76.4 mt -136.74 -60.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.095 176.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -147.12 168.96 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -85.19 -52.64 5.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.881 0.372 . . . . 0.0 111.307 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.28 99.97 4.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 111.278 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -175.98 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -119.05 -179.08 3.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.933 173.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 49' ' ' SER . 19.5 m -132.42 131.21 41.54 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.0 m -91.37 113.86 26.24 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.906 0.384 . . . . 0.0 110.809 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 t -109.65 118.99 58.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.453 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -89.64 115.09 26.76 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.927 0.394 . . . . 0.0 110.653 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . 47.1 mt -67.22 -26.87 66.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.911 0.862 . . . . 0.0 108.787 176.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.78 68.49 9.93 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.502 169.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.95 -140.74 2.95 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.617 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.7 t -87.06 -15.73 37.7 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 87' ' ' LEU . 3.6 mm? -76.45 126.3 86.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.598 0.237 . . . . 0.0 111.627 -176.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.17 160.56 26.47 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.966 2.444 . . . . 0.0 112.364 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.24 -50.59 49.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.037 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -56.07 -42.68 77.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.927 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.527 HE22 HD21 ' A' ' 95' ' ' LEU . 20.4 tm0? -69.47 -37.25 77.22 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.489 HD12 HD23 ' A' ' 83' ' ' LEU . 79.5 mt -63.28 -41.06 91.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.042 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -62.44 -37.16 84.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.042 0.449 . . . . 0.0 110.179 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -64.37 -42.01 96.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.582 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.64 ' HB3' HD22 ' A' ' 50' ' ' LEU . 70.5 mt -58.18 -55.29 36.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.792 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.69 -45.64 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.056 0.455 . . . . 0.0 111.237 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.67 -31.5 70.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.12 82.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.783 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.555 ' HA ' HE21 ' A' ' 102' ' ' GLN . 66.4 m -62.7 -34.69 77.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.062 0.458 . . . . 0.0 110.648 176.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.572 ' O ' HG23 ' A' ' 104' ' ' VAL . 44.2 t80 -69.41 -45.89 68.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.21 175.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -41.42 94.49 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.032 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.555 HE21 ' HA ' ' A' ' 99' ' ' SER . 11.0 pt20 -64.97 -31.63 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.768 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -72.97 -29.67 63.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.811 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 100' ' ' TYR . 88.5 t -62.94 -38.77 82.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.829 -177.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -76.97 -17.12 59.09 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.852 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.6 mt -81.57 -32.48 32.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.432 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 98.7 mt -74.03 140.42 77.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.56 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 5.6 Cg_exo -80.9 -176.97 3.42 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.886 2.391 . . . . 0.0 113.219 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -47.14 -51.35 18.37 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.298 177.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -48.65 -52.65 22.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.936 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.618 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 14.0 mptt -69.17 -42.58 75.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.263 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.469 ' O ' HG21 ' A' ' 116' ' ' VAL . 14.0 mtp180 -61.35 -37.18 82.39 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.123 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.701 ' HA ' ' HE3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -58.16 -32.37 68.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.155 0.503 . . . . 0.0 110.823 179.118 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.493 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 93.3 mt -81.91 -46.58 13.87 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.985 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 62.9 mt -57.49 -32.64 67.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.188 -175.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.469 HG21 ' O ' ' A' ' 112' ' ' ARG . 88.6 t -68.52 -41.36 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.014 0.435 . . . . 0.0 110.659 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -77.23 -29.18 53.98 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.203 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 87.0 mt . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.732 -0.651 . . . . 0.0 111.674 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 ttm . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.1 -0.334 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.9 p -100.39 169.86 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.867 0.365 . . . . 0.0 111.187 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.526 HD13 ' HB3' ' A' ' 46' ' ' PRO . 46.4 mm -68.9 -24.57 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.316 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -59.84 -43.67 94.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.345 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -59.97 -45.66 91.96 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.28 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.6 -49.69 70.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.206 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -55.96 -49.34 73.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.66 -177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.94 -43.04 99.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.943 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -68.47 -32.47 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.851 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.5 m -67.84 -34.42 76.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.633 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.3 mtp -75.61 -13.32 60.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 110.556 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.34 1.1 52.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.487 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -93.47 109.36 40.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.91 112.59 1.33 Allowed 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.583 2.189 . . . . 0.0 112.387 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.03 -13.26 24.19 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.18 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.09 128.22 45.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.095 0.474 . . . . 0.0 110.521 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -124.94 147.66 48.76 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -110.6 152.13 26.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.243 0.544 . . . . 0.0 110.958 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -138.59 103.79 4.95 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.441 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 3.5 p -97.74 123.86 50.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.317 0.579 . . . . 0.0 110.633 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -107.73 97.04 6.81 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -66.39 133.5 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.173 0.511 . . . . 0.0 111.557 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 173.12 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -144.53 32.76 1.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.288 172.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HD3' ' HB3' ' A' ' 41' ' ' GLU . 9.5 mptt 58.53 40.79 23.44 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.213 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.878 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . . . -76.01 97.57 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.659 177.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 9.4 m -109.35 118.31 36.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.528 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -99.83 113.28 25.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.379 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.1 mt -98.66 114.82 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 33' ' ' ASP . 60.8 pttt -148.92 169.16 21.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.242 0.544 . . . . 0.0 111.908 -171.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.12 -131.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -38.79 -66.06 0.31 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.539 0.685 . . . . 0.0 110.087 172.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 25.6 t70 -154.06 19.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.276 169.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 t -80.98 94.76 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.959 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 38' ' ' MET . 56.5 tp -79.25 101.73 8.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -96.59 -27.77 14.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.166 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.37 132.1 14.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.964 0.411 . . . . 0.0 110.73 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.603 ' HG3' ' HB2' ' A' ' 49' ' ' SER . 6.0 ptt? -133.18 122.01 23.39 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 14.4 p -102.71 140.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.986 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.878 ' HG3' ' HA ' ' A' ' 26' ' ' ALA . 3.7 mppt? -138.82 161.34 37.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.954 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.554 ' HB3' ' HD3' ' A' ' 25' ' ' LYS . 2.1 tm-20 -125.37 113.73 17.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 175.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.99 107.82 20.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.25 0.547 . . . . 0.0 111.185 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 60.03 47.05 10.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.133 173.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 79.12 2.49 2.38 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.684 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -108.2 107.81 60.57 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.936 0.398 . . . . 0.0 111.268 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.526 ' HB3' HD13 ' A' ' 3' ' ' ILE . 8.1 Cg_exo -72.78 122.08 7.89 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.938 2.426 . . . . 0.0 111.082 174.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.55 128.72 41.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.06 130.25 71.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.087 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.603 ' HB2' ' HG3' ' A' ' 38' ' ' MET . 19.2 m -104.53 116.85 32.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.78 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 95' ' ' LEU . 5.1 mp -101.44 164.69 11.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.417 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.517 ' HE2' ' O ' ' A' ' 35' ' ' LEU . 56.1 mttm -81.45 155.22 25.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 169.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.1 m -55.6 113.7 1.56 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.044 0.45 . . . . 0.0 110.805 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.718 ' HB2' HD23 ' A' ' 56' ' ' LEU . 23.0 m -121.5 149.61 52.91 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.929 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -52.15 -47.64 25.72 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.908 2.405 . . . . 0.0 112.414 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 41.5 mt-10 -70.48 -34.99 73.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.37 -177.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.718 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -67.7 -40.16 84.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.021 0.438 . . . . 0.0 110.275 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.5 -34.38 70.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.467 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -56.81 -53.61 55.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.146 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 99.5 mt -55.84 -51.54 67.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.46 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.1 tp -66.52 -31.05 71.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 111.601 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -71.78 -38.28 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.881 0.372 . . . . 0.0 110.797 -176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.46 -45.0 7.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.684 -176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -94.11 121.28 35.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -96.05 124.9 40.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.531 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 t 68.26 -170.7 0.19 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.492 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 71.79 -39.63 0.45 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.236 1.015 . . . . 0.0 111.945 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.93 -29.13 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 171.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 71.14 113.9 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.261 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.166 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.61 153.01 79.51 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.749 2.299 . . . . 0.0 112.537 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.409 ' HG ' ' HA ' ' A' ' 79' ' ' SER . 6.9 m -60.66 136.08 57.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.603 178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -127.71 -45.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.794 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -83.25 -23.36 32.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.71 62.98 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.776 0.322 . . . . 0.0 110.844 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 65.3 155.16 0.08 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.82 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HB3' ' HZ3' ' A' ' 75' ' ' LYS . 7.1 ttpm? -86.78 -24.99 24.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.088 -0.383 . . . . 0.0 111.319 -179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.94 172.17 10.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.129 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.8 m170 70.88 -53.15 0.67 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.372 0.669 . . . . 0.0 110.457 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -96.13 141.54 29.38 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' A' ' 49' ' ' SER . 11.0 m -125.67 124.44 41.13 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.8 m -113.92 113.82 25.38 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.555 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.7 t -92.09 114.42 29.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.141 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -88.54 106.13 18.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.586 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 68.3 mt -59.23 -55.7 31.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.943 -176.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.0 t0 59.68 12.99 3.17 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.572 175.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.75 9.44 86.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.807 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -123.42 24.69 8.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.442 . . . . 0.0 110.847 -177.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.411 HD21 ' HA ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -112.2 121.2 39.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -179.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 87' ' ' LEU . 2.4 Cg_endo -47.07 129.91 15.75 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.491 2.794 . . . . 0.0 113.148 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -53.43 -46.77 69.94 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.552 -173.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.5 m -72.65 -28.52 62.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.769 0.319 . . . . 0.0 111.542 -173.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.553 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.2 mm-40 -70.24 -31.83 69.41 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.726 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.2 -48.56 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -65.25 -38.91 91.81 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.076 0.465 . . . . 0.0 110.486 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -60.51 -40.39 91.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.937 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.661 ' HB3' HD22 ' A' ' 50' ' ' LEU . 81.0 mt -64.06 -38.77 92.27 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.73 -53.78 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.717 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.98 -34.39 77.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.513 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.62 -38.81 85.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.934 0.397 . . . . 0.0 110.76 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.4 m -77.36 -39.37 47.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.419 ' O ' HG23 ' A' ' 104' ' ' VAL . 51.2 t80 -65.95 -47.62 74.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.274 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -58.46 -50.16 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -62.52 -32.65 73.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.142 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.466 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.4 -37.98 77.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.781 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 100' ' ' TYR . 99.2 t -64.94 -36.56 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.46 -16.83 63.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.263 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.07 -4.75 42.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.76 0.314 . . . . 0.0 111.193 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 97.0 mt -84.54 146.39 46.98 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.675 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -72.5 168.16 25.09 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.952 2.435 . . . . 0.0 113.001 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.677 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.1 tp10 -45.27 -58.39 3.32 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.802 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -48.11 -49.17 32.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.386 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -70.97 -42.42 69.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.25 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.436 ' O ' HG22 ' A' ' 116' ' ' VAL . 55.5 mtp180 -65.35 -26.26 67.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.813 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.785 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 7.4 mmpt? -55.75 -41.47 74.0 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-O 120.976 0.417 . . . . 0.0 110.967 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.75 -45.07 72.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.534 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.08 -31.7 71.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.885 -175.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 112' ' ' ARG . 75.5 t -80.75 -34.7 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -74.3 -28.74 61.32 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.471 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.61 179.743 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HE1' ' HB2' ' A' ' 89' ' ' ASP . 58.4 ttp . . . . . 0 N--CA 1.481 1.125 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -113.21 -177.66 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.179 0.514 . . . . 0.0 111.116 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.552 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 47.4 mm -68.74 -24.03 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.332 177.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 m -57.6 -34.59 69.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.321 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.1 -36.52 64.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.299 0.571 . . . . 0.0 110.195 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.12 -31.74 64.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.11 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 89.0 mt -55.28 -45.44 76.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.233 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -69.8 -34.36 73.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.59 -31.83 70.22 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.266 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.6 m -66.98 -19.04 65.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.546 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.569 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 3.3 mmt -78.89 -11.83 60.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.168 0.508 . . . . 0.0 109.832 177.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.9 -2.12 53.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.54 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -98.61 106.07 34.29 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.213 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.468 ' O ' HD22 ' A' ' 115' ' ' LEU . 19.2 Cg_endo -57.94 117.51 4.23 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.765 2.31 . . . . 0.0 113.064 -175.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.449 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 115.54 -21.96 12.33 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.05 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.39 120.02 25.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.818 0.342 . . . . 0.0 111.457 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 151.97 36.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.537 ' HG2' HG12 ' A' ' 29' ' ' ILE . 65.5 mt-30 -122.33 132.29 54.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.361 . . . . 0.0 111.402 -174.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.7 m -142.15 128.47 19.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.669 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 3.9 p -91.83 130.36 41.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.459 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 11.4 t60 -116.04 162.42 17.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -175.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -58.14 -25.84 61.93 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' OD2' ' HD2' ' A' ' 21' ' ' HIS . 16.5 m-20 -66.75 100.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.53 0.205 . . . . 0.0 110.817 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 13.1 m0 64.62 8.51 4.46 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.802 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 mttp 57.86 31.22 20.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.157 0.503 . . . . 0.0 110.418 -175.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.28 139.59 34.09 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.634 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 43.1 m -99.87 118.89 37.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.114 0.483 . . . . 0.0 109.894 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.23 135.72 37.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.646 -176.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.537 HG12 ' HG2' ' A' ' 18' ' ' GLN . 53.0 mt -108.93 113.87 45.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.708 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.84 168.51 19.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.399 -176.443 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.55 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 2.2 t -79.78 -133.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.599 ' HG3' ' H ' ' A' ' 33' ' ' ASP . 6.9 pt-20 -58.82 -63.85 1.15 Allowed 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.94 -0.475 . . . . 0.0 110.2 173.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.599 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 28.7 t70 -140.3 18.64 2.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.775 0.798 . . . . 0.0 109.887 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.3 t -98.61 101.07 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.822 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.708 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 7.8 tt -86.54 124.48 32.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.804 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -126.74 -21.25 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.692 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.478 ' HB2' ' HB ' ' A' ' 29' ' ' ILE . . . -139.37 150.89 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 111.083 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.594 ' HG2' ' HB3' ' A' ' 49' ' ' SER . 26.8 ptm -153.88 140.82 19.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.718 177.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.67 124.12 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.279 0.562 . . . . 0.0 110.587 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' A' ' 80' ' ' THR . 9.6 ptmm? -129.85 135.29 48.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.422 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -99.89 130.62 46.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.041 0.448 . . . . 0.0 110.77 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -149.84 143.13 17.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 171.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 34.3 tt0 64.24 19.59 11.84 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -174.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 m120 65.1 18.65 11.55 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.362 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.48 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 mpt_? -112.95 133.64 21.95 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.379 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 2.8 Cg_exo -76.89 129.82 10.95 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.951 2.434 . . . . 0.0 112.119 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.48 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -122.7 142.43 50.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.831 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.04 133.58 64.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.056 0.455 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.594 ' HB3' ' HG2' ' A' ' 38' ' ' MET . 8.8 t -111.34 130.81 55.56 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 95' ' ' LEU . 5.6 mp -105.33 35.28 2.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.806 -171.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.518 ' HA ' ' CZ3' ' A' ' 78' ' ' TRP . 7.6 tmtt? 52.5 52.88 13.25 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.401 0.62 . . . . 0.0 109.89 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 m 73.7 -71.23 0.14 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.516 -177.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.4 t 64.58 114.91 0.02 OUTLIER Pre-proline 0 C--O 1.234 0.287 0 O-C-N 123.832 0.707 . . . . 0.0 111.185 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 32.4 Cg_exo -60.26 -19.76 59.13 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.859 2.373 . . . . 0.0 112.299 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -77.18 -47.21 20.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.647 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.62 -35.17 70.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.155 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.33 85.96 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 54' ' ' PRO . 42.6 mm-40 -63.75 -50.9 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.1 tp -52.97 -44.23 67.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.864 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' A' ' 64' ' ' HIS . 38.5 tp -65.41 -37.65 87.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.178 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -66.14 -49.1 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.984 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -62.56 -65.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.71 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -129.2 99.13 5.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.055 0.455 . . . . 0.0 111.158 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.464 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 12.9 p-80 -105.2 58.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.57 0.7 . . . . 0.0 110.875 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.435 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 32.4 m -128.36 149.2 50.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.864 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 65' ' ' SER . 29.1 t70 73.54 -44.95 0.6 Allowed 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.712 0.632 . . . . 0.0 110.892 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.2 p -77.53 142.69 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -111.56 104.0 55.66 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 120.642 0.258 . . . . 0.0 111.662 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -81.07 91.63 1.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.597 2.198 . . . . 0.0 111.743 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.615 ' HB3' ' HH ' ' A' ' 82' ' ' TYR . 46.7 t -117.92 108.98 15.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 -176.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' HB3' ' HA ' ' A' ' 75' ' ' LYS . 11.0 tpt180 -148.21 104.81 3.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.488 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -73.01 -30.42 63.76 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.7 mt -57.08 -71.59 0.09 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.098 0.475 . . . . 0.0 109.945 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.574 ' ND2' ' HB2' ' A' ' 77' ' ' HIS . 49.7 t30 -151.67 111.14 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 171.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 5.0 tmmm? -61.1 -35.82 78.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.424 -176.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.47 22.53 4.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.574 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 10.5 t-160 -122.61 -60.09 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.732 0.301 . . . . 0.0 110.348 176.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.518 ' CZ3' ' HA ' ' A' ' 51' ' ' LYS . 59.7 m95 -98.56 153.62 18.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.905 0.383 . . . . 0.0 110.366 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -125.33 126.35 44.93 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.48 HG22 ' HB1' ' A' ' 47' ' ' ALA . 16.4 m -123.14 122.67 39.02 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.356 -175.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.0 t -103.29 130.16 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.427 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.615 ' HH ' ' HB3' ' A' ' 70' ' ' SER . 44.5 m-85 -97.66 132.75 43.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.608 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.51 42.14 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.078 0.466 . . . . 0.0 110.9 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -88.02 70.12 9.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.271 0.558 . . . . 0.0 110.743 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.93 -35.24 1.44 Allowed Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.594 -0.73 . . . . 0.0 113.937 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.564 ' HB2' HD23 ' A' ' 87' ' ' LEU . 14.6 m -59.08 -38.27 79.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -174.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 86' ' ' SER . 3.1 mm? -100.73 118.31 60.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.608 0.242 . . . . 0.0 111.208 -173.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.75 159.17 52.57 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.906 2.404 . . . . 0.0 110.95 173.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.501 ' HB2' ' HE1' ' A' ' 1' ' ' MET . 1.2 p-10 -64.1 -30.52 71.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.519 0.199 . . . . 0.0 110.836 -174.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.5 t -63.64 -39.48 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.941 0.401 . . . . 0.0 110.466 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.49 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.5 mm-40 -69.83 -32.84 71.46 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.44 -38.81 77.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.482 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -63.39 -47.42 82.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.378 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.08 -45.59 91.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.15 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 87.5 mt -55.63 -54.74 40.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.682 0.277 . . . . 0.0 111.223 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.8 -43.79 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 33.5 t70 -68.27 -35.15 77.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.955 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.626 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -58.19 -54.71 43.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.604 178.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 p -61.1 -30.9 70.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.127 0.489 . . . . 0.0 110.715 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.447 ' O ' HG23 ' A' ' 104' ' ' VAL . 87.6 t80 -67.04 -46.02 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.329 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 33.1 mm-40 -58.62 -44.46 89.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.526 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.626 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 69.0 mt-30 -59.46 -46.97 87.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.342 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.23 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.382 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 100' ' ' TYR . 98.6 t -61.18 -39.15 81.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.927 0.394 . . . . 0.0 111.002 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -68.4 -18.61 64.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.549 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 99.2 mt -88.14 -10.4 50.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.839 0.352 . . . . 0.0 110.946 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.26 148.37 49.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.613 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.29 170.45 15.97 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.734 2.289 . . . . 0.0 112.719 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 20.3 mm-40 -49.72 -45.06 48.72 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.77 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -48.4 -51.48 26.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.712 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.63 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 12.3 mptt -73.53 -47.53 40.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 116' ' ' VAL . 21.3 mtm180 -59.12 -38.71 80.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.575 ' O ' ' HG2' ' A' ' 117' ' ' GLN . 32.6 mmtp -65.28 -46.76 79.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.82 0.343 . . . . 0.0 110.506 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.5 mt -63.66 -39.55 94.62 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.891 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 48.7 mt -62.54 -29.91 70.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.332 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 112' ' ' ARG . 61.9 t -78.75 -29.06 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.166 0.508 . . . . 0.0 110.441 177.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 26.8 mm-40 -71.96 -28.95 63.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.469 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.906 -179.714 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.672 0.272 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.1 p -91.09 169.47 10.83 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 170.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.53 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 46.0 mm -63.97 -31.69 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -61.16 -43.54 98.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.55 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.92 -38.39 90.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.812 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.29 -46.31 80.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.945 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 90.0 mt -59.7 -44.38 93.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.84 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.19 -36.59 84.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.79 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -65.06 -33.96 77.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 110.37 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.09 -25.62 62.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.577 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 20.0 mmt -73.44 -21.11 60.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 178.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.2 -23.25 51.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.142 0.496 . . . . 0.0 110.504 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -85.41 117.34 68.56 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.68 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.71 137.74 46.74 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.761 2.307 . . . . 0.0 112.205 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.23 -20.83 34.71 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.369 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.41 115.11 20.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.878 0.371 . . . . 0.0 110.04 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -118.15 148.49 42.29 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.243 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -90.94 128.16 36.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.783 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.53 ' HB2' ' HB2' ' A' ' 28' ' ' GLN . 15.5 m -113.09 142.25 45.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.34 112.23 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.751 0.786 . . . . 0.0 110.696 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -104.37 112.57 25.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.119 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.461 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 62.3 t30 -60.95 164.65 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.461 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 39.2 t70 89.74 -32.81 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.333 1.053 . . . . 0.0 109.081 -169.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -116.17 -36.98 3.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.637 170.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.8 tttm 68.44 13.86 9.04 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.607 0.718 . . . . 0.0 110.943 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.12 178.76 4.82 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.599 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 m -102.59 132.88 48.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.158 0.504 . . . . 0.0 111.942 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.703 ' HG3' ' HG3' ' A' ' 38' ' ' MET . 2.5 mp0 -105.65 142.32 35.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.466 174.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.6 mp -114.93 110.74 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -138.44 162.3 34.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.051 0.453 . . . . 0.0 111.446 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.9 -133.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -44.51 -69.94 0.12 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.397 0.435 . . . . 0.0 110.849 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -138.64 3.09 2.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.982 0.896 . . . . 0.0 109.326 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.8 t -82.88 96.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.611 -175.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.4 tp -87.74 95.35 10.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -97.55 -21.35 17.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.872 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.82 126.11 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 0.0 111.316 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.703 ' HG3' ' HG3' ' A' ' 28' ' ' GLN . 41.3 ttp -144.79 120.12 10.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.391 176.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.468 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 9.9 p -86.88 144.25 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.084 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.783 ' HB2' ' HZ2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -141.43 133.04 27.04 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -87.02 111.98 21.39 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.526 HG21 ' HG2' ' A' ' 43' ' ' GLU . 7.1 p -139.04 138.1 41.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.526 ' HG2' HG21 ' A' ' 42' ' ' VAL . 25.7 mm-40 64.46 33.64 10.91 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.414 0.626 . . . . 0.0 109.332 -174.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.0 t30 73.51 -6.2 1.82 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.155 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.571 ' HB2' ' HE2' ' A' ' 82' ' ' TYR . 4.7 mmp_? -114.18 140.24 24.73 Favored Pre-proline 0 C--N 1.323 -0.558 0 O-C-N 121.804 -0.56 . . . . 0.0 111.31 -177.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.87 117.41 5.14 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.731 2.287 . . . . 0.0 112.02 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.02 154.38 44.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.644 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -115.51 150.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.942 0.401 . . . . 0.0 110.303 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.411 ' HG ' ' HA ' ' A' ' 80' ' ' THR . 65.0 m -134.87 118.36 16.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.305 177.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.55 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 6.5 mp -94.49 144.01 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 174.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -78.61 92.17 4.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.211 0.529 . . . . 0.0 110.159 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 15.0 m 71.35 -84.41 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.212 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.458 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 60.4 p 59.1 154.68 0.09 OUTLIER Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 124.373 1.069 . . . . 0.0 112.76 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.63 -39.96 4.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.653 2.235 . . . . 0.0 112.128 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.6 -48.4 72.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.705 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.55 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 17.2 mt -66.64 -32.56 73.96 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.77 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.38 -53.36 57.17 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.5 -48.86 78.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.995 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 tp -59.8 -28.7 67.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.562 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mp -67.27 -30.83 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.406 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -75.75 -49.58 17.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.963 0.411 . . . . 0.0 110.449 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -73.35 -35.72 66.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.747 -173.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 58.67 -157.35 0.32 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.621 0.368 . . . . 0.0 110.998 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 69.24 16.54 8.45 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.122 0.569 . . . . 0.0 111.336 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 p -111.06 6.16 20.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.428 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.642 ' HB3' ' HG ' ' A' ' 86' ' ' SER . 27.0 t70 58.41 43.83 19.16 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.794 0.806 . . . . 0.0 110.203 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.534 ' HB ' HG11 ' A' ' 81' ' ' VAL . 7.5 p -99.74 135.11 36.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.954 177.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HD3' ' HE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -122.11 127.81 25.78 Favored Pre-proline 0 C--N 1.322 -0.62 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.329 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -66.01 115.14 3.29 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.445 2.097 . . . . 0.0 110.097 170.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.425 ' HB2' ' HG1' ' A' ' 80' ' ' THR . 24.9 t -80.83 112.95 18.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.899 0.381 . . . . 0.0 111.285 -171.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -72.47 -26.12 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.777 175.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -68.31 -27.34 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.025 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.425 HD13 ' HE2' ' A' ' 40' ' ' LYS . 92.0 mt -102.19 -77.53 0.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.662 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.718 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 61.5 t30 -167.49 105.29 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -52.02 -54.23 32.4 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -164.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.0 10.76 38.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -168.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.452 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 29.7 m80 -139.04 -22.94 0.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.175 -0.61 . . . . 0.0 112.597 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.718 ' HD1' ' HB3' ' A' ' 74' ' ' ASN . 91.8 m95 -115.49 125.02 52.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.878 0.37 . . . . 0.0 110.131 173.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.5 p -125.39 139.02 54.02 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.04 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.425 ' HG1' ' HB2' ' A' ' 70' ' ' SER . 48.1 m -102.05 114.21 28.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -177.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.534 HG11 ' HB ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.69 133.33 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' HE2' ' HB2' ' A' ' 45' ' ' ARG . 31.2 m-85 -88.07 115.42 25.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.034 0.445 . . . . 0.0 112.041 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.638 HD21 HG12 ' A' ' 92' ' ' ILE . 94.2 mt -69.25 -31.72 70.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.692 175.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.415 ' OD2' ' HD3' ' A' ' 45' ' ' ARG . 32.4 t70 -85.03 77.16 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.897 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.05 -63.22 0.62 Allowed Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.877 175.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.642 ' HG ' ' HB3' ' A' ' 66' ' ' ASP . 34.7 m -69.62 -50.55 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.801 0.334 . . . . 0.0 111.877 -174.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.427 HD23 ' CG1' ' A' ' 81' ' ' VAL . 3.6 mm? -93.18 135.19 25.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.242 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.445 ' HD2' ' HG3' ' A' ' 91' ' ' GLN . 16.9 Cg_exo -68.64 149.15 73.48 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.529 2.153 . . . . 0.0 110.581 168.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.41 -28.74 65.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.152 0.501 . . . . 0.0 111.547 -176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 p -69.59 -30.04 67.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.902 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.445 ' HG3' ' HD2' ' A' ' 88' ' ' PRO . 78.3 mm-40 -70.69 -31.72 68.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.412 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.638 HG12 HD21 ' A' ' 83' ' ' LEU . 51.6 mt -53.55 -40.29 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.623 -175.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -56.79 -48.87 76.94 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 111.206 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -73.03 -35.84 66.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.97 -173.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.3 mt -58.18 -45.42 87.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.967 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.55 -43.66 77.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.26 -41.01 97.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.394 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.02 -41.79 73.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.352 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.46 ' HB2' HD21 ' A' ' 50' ' ' LEU . 8.4 t -68.87 -28.3 66.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.15 0.5 . . . . 0.0 109.924 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.447 ' O ' HG22 ' A' ' 104' ' ' VAL . 58.9 t80 -72.08 -36.76 69.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.272 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -54.07 50.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.193 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.458 ' OE1' ' HA ' ' A' ' 53' ' ' SER . 10.0 pt20 -60.11 -32.88 71.4 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -65.16 -42.5 93.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.968 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 100' ' ' TYR . 57.3 t -63.12 -36.27 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -68.92 -16.43 63.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.781 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 97.1 mt -97.83 -7.46 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 92.3 mt -84.3 148.33 52.54 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.066 -176.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.418 ' HG2' ' HB2' ' A' ' 111' ' ' LYS . 25.7 Cg_endo -62.14 163.29 20.3 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.065 2.51 . . . . 0.0 112.772 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.4 tp10 -57.53 -46.79 83.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.525 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -58.54 -44.5 89.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.385 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.426 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 0.5 OUTLIER -74.07 -34.84 64.17 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.354 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 112' ' ' ARG . 45.6 mtp180 -59.52 -33.99 72.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.631 0.253 . . . . 0.0 110.96 178.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 74.8 mmtt -63.81 -38.54 91.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.152 0.501 . . . . 0.0 110.642 177.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 70.3 mt -70.74 -39.94 73.04 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.502 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 65.6 mt -60.29 -34.39 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.84 -37.97 70.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.923 0.392 . . . . 0.0 110.401 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -46.18 84.39 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.387 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.9 mt . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.183 -174.828 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.689 0.281 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 p -98.42 168.31 10.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.802 0.334 . . . . 0.0 111.179 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 63.6 mt -61.62 -42.14 93.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.47 -177.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 p -62.96 -39.56 95.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.564 -176.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.57 -40.64 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.05 0.452 . . . . 0.0 110.358 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.747 HD13 HG23 ' A' ' 96' ' ' VAL . 31.8 tp -65.13 -44.49 88.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.204 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 87.8 mt -62.05 -38.04 87.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.968 178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -62.36 -43.1 99.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.903 0.382 . . . . 0.0 110.384 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -65.44 -34.09 77.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.845 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.16 -26.08 61.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.517 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 1.4 mmt -76.66 -12.71 60.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 110.708 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.65 7.33 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.27 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 75.2 mmtt -109.81 107.11 58.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.655 177.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 15.4 Cg_endo -57.78 132.47 50.18 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.692 2.261 . . . . 0.0 112.208 -178.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.01 -27.37 19.74 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.025 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.61 131.61 37.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.91 0.386 . . . . 0.0 110.663 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -122.29 150.91 41.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.77 122.08 32.52 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.674 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 m -121.91 104.56 9.63 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.4 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -98.87 120.77 48.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.319 0.58 . . . . 0.0 110.466 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.442 ' C ' ' H ' ' A' ' 23' ' ' ASP . 47.3 m-70 -116.05 137.11 52.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.773 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -71.96 16.21 0.13 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' A' ' 21' ' ' HIS . 19.2 t70 -61.76 -58.4 8.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.383 0.611 . . . . 0.0 109.731 172.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -121.85 2.79 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.877 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt 60.97 23.88 14.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.396 -169.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -86.85 157.16 19.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.72 -177.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 m -91.82 117.37 29.71 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.604 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -100.39 121.05 40.89 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.9 mt -103.6 115.39 45.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.3 -175.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -129.45 158.39 39.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.324 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.709 HG12 HD12 ' A' ' 107' ' ' LEU . 2.1 t -88.39 -134.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.447 ' HG3' ' HG2' ' A' ' 111' ' ' LYS . 5.8 mm-40 -55.6 -67.15 0.31 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.107 0.48 . . . . 0.0 110.458 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -134.56 5.49 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.722 0.772 . . . . 0.0 109.878 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 47.1 t -97.47 107.92 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.871 -176.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt -95.89 105.91 17.99 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 173.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -94.04 -34.87 12.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.595 -176.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.68 139.44 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.82 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -136.86 133.73 36.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.919 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.543 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 13.2 m -85.0 98.17 6.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.458 0.647 . . . . 0.0 111.074 -177.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -93.33 104.92 17.05 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.549 ' OE2' ' HA ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -88.44 136.87 32.78 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.326 -172.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.6 p -134.19 121.53 38.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.498 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HG3' HG22 ' A' ' 42' ' ' VAL . 43.0 mt-10 63.28 29.54 15.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.12 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.549 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 2.2 t-20 66.86 22.64 10.16 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.757 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.492 ' HD2' ' HB2' ' A' ' 84' ' ' ASP . 23.9 mmt180 -99.58 127.67 33.52 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.371 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.35 109.92 0.81 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.7 2.267 . . . . 0.0 112.155 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.06 125.22 20.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.23 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 6.4 p -116.48 128.9 73.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.971 0.415 . . . . 0.0 110.627 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 20.3 m -96.85 113.96 25.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.635 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.74 153.34 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.882 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' A' ' 51' ' ' LYS . 1.8 ttpm? -93.4 27.63 2.51 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 175.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 m 73.07 126.88 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.951 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.464 ' H ' ' HB3' ' A' ' 56' ' ' LEU . 49.3 m -120.64 162.5 34.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.194 177.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.425 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . 60.6 Cg_exo -52.04 -64.13 0.21 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 122.555 2.17 . . . . 0.0 113.068 -177.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' OE1' ' HB2' ' A' ' 54' ' ' PRO . 3.4 mp0 -62.83 -29.91 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.205 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.464 ' HB3' ' H ' ' A' ' 53' ' ' SER . 3.4 tm? -63.25 -43.7 97.28 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.53 81.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.477 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.7 -51.8 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.642 0.734 . . . . 0.0 109.302 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 64' ' ' HIS . 48.8 tp -59.05 -38.2 78.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.231 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.1 tp -66.52 -39.91 88.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.454 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -68.03 -49.25 62.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.31 -16.48 39.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.353 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 55.29 55.7 7.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.615 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.517 ' HB2' HD12 ' A' ' 59' ' ' LEU . 24.6 m80 -78.37 -12.04 59.98 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.415 0.626 . . . . 0.0 109.932 175.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.9 m -148.16 136.67 21.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.344 173.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.07 114.09 19.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.169 0.509 . . . . 0.0 111.392 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.503 HG23 ' HA ' ' A' ' 81' ' ' VAL . 11.2 p -102.33 -22.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.094 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 57.16 95.84 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.256 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.198 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.5 74.53 2.65 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.545 2.163 . . . . 0.0 111.878 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.9 t -145.97 112.74 6.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.748 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.446 ' H ' ' HB3' ' A' ' 75' ' ' LYS . 4.9 tpt180 -153.8 136.31 15.08 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -66.65 -22.06 66.1 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.403 0.44 . . . . 0.0 111.232 -175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.7 mt -66.99 -77.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.365 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -163.26 95.17 0.84 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HB3' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -67.53 -22.42 65.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.027 -176.028 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.36 4.91 41.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -174.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -145.67 -40.69 0.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.344 . . . . 0.0 111.009 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -100.25 135.02 42.32 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 m -124.95 126.45 45.5 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.057 0.456 . . . . 0.0 109.805 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 50.5 m -105.14 122.49 46.02 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.176 -177.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.503 ' HA ' HG23 ' A' ' 67' ' ' VAL . 48.0 t -85.67 111.39 20.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.867 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -88.47 98.17 11.48 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.69 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.98 36.95 2.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.076 0.465 . . . . 0.0 110.751 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.492 ' HB2' ' HD2' ' A' ' 45' ' ' ARG . 4.8 p-10 -78.18 -27.36 47.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.083 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -151.4 27.08 0.97 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.998 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.6 t -165.84 -167.92 1.19 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.419 ' HG ' ' CG1' ' A' ' 81' ' ' VAL . 3.7 mm? 62.94 98.02 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.282 0 O-C-N 123.773 0.671 . . . . 0.0 111.648 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.0 153.18 65.86 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.705 2.27 . . . . 0.0 112.004 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.55 -46.55 86.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.527 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.3 m -63.32 -31.1 72.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.112 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.483 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 6.5 tp60 -68.79 -44.83 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.45 -43.51 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.056 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -50.32 -43.9 53.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.213 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -68.26 -43.45 77.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.322 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 97.1 mt -72.16 -39.52 68.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -174.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.747 HG23 HD13 ' A' ' 6' ' ' LEU . 92.3 t -63.53 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.327 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -32.12 72.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.74 70.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.349 0.595 . . . . 0.0 110.342 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.1 m -73.94 -34.49 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.344 178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.409 ' O ' HG22 ' A' ' 104' ' ' VAL . 66.4 t80 -73.34 -35.84 66.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.119 174.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -53.49 -52.44 59.55 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.138 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.435 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 8.7 pt20 -60.69 -33.73 73.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -65.18 -40.28 94.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.65 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 100' ' ' TYR . 52.2 t -64.76 -31.09 52.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.243 0.544 . . . . 0.0 110.702 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -76.86 -24.43 52.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 97.7 mt -86.39 -13.24 46.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.709 HD12 HG12 ' A' ' 31' ' ' VAL . 93.2 mt -82.93 136.14 44.56 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.649 178.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.618 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 23.8 Cg_exo -64.81 170.94 9.3 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.845 2.364 . . . . 0.0 112.267 177.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 6.3 tp10 -55.38 -45.76 76.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.986 -177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -48.09 -49.96 29.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.625 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.618 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 4.3 mptp? -68.67 -47.08 67.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.556 -177.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.56 ' O ' HG22 ' A' ' 116' ' ' VAL . 35.8 mtp85 -59.26 -39.43 82.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.879 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.798 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 9.8 mmpt? -60.61 -34.59 74.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 111.271 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.43 -43.51 66.6 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.77 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 81.3 mt -62.94 -27.81 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.827 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 112' ' ' ARG . 87.1 t -59.66 -38.25 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 111.285 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.624 HE21 ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -75.41 -28.15 59.3 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.027 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.606 -0.711 . . . . 0.0 111.316 -174.563 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.692 0.282 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.0 162.97 16.93 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mm -57.77 -36.9 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.302 . . . . 0.0 110.99 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 m -60.07 -53.87 52.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.688 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.38 -41.09 96.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.738 0.304 . . . . 0.0 110.701 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.63 -49.85 75.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.041 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.36 -47.37 86.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.218 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.64 -41.6 95.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.051 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -64.28 -42.13 96.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.028 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.8 m -61.67 -46.81 88.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.208 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.8 ttt -71.12 -19.27 62.47 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.061 0.458 . . . . 0.0 110.824 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.67 -12.59 59.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 11.2 mmmm -88.87 121.72 69.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_exo -52.53 130.17 35.26 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.207 2.605 . . . . 0.0 113.272 -174.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.443 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 104.82 -10.97 49.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.945 175.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.21 104.64 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.955 0.407 . . . . 0.0 111.764 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.63 124.89 50.28 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 173.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -91.95 120.69 32.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.055 0.455 . . . . 0.0 111.878 -173.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 m -116.88 117.29 29.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.502 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -93.7 121.49 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.676 0.751 . . . . 0.0 112.229 -175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.487 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 12.0 t60 -85.91 122.9 30.62 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 170.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.451 ' CG ' ' H ' ' A' ' 23' ' ' ASP . 53.3 t30 -74.33 -152.7 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.461 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.451 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 22.6 t70 74.58 -68.88 0.2 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.255 0.622 . . . . 0.0 111.044 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.497 ' HZ3' ' HE1' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -113.53 2.13 15.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.217 177.457 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 64.5 87.97 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.641 0.734 . . . . 0.0 110.758 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.775 ' HB1' ' HG2' ' A' ' 40' ' ' LYS . . . -124.47 107.36 11.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.404 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 38' ' ' MET . 19.4 m -83.28 116.31 22.37 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.484 ' HB3' HD12 ' A' ' 35' ' ' LEU . 77.6 mt-30 -91.48 120.39 32.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.095 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.5 mt -91.17 107.83 19.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.526 ' HD2' ' HA ' ' A' ' 33' ' ' ASP . 23.8 ttpt -140.29 145.4 37.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.039 -168.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.493 HG21 ' HB ' ' A' ' 34' ' ' VAL . 16.1 m -79.89 -137.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 171.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -52.02 -59.8 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 110.326 174.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.526 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 16.9 t70 -159.74 73.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.152 0.501 . . . . 0.0 110.21 170.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.493 ' HB ' HG21 ' A' ' 31' ' ' VAL . 95.0 t -148.4 116.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.053 176.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 38' ' ' MET . 38.1 tp -97.83 108.99 21.83 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -106.89 -22.58 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.512 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.499 ' HA ' ' O ' ' A' ' 49' ' ' SER . . . -163.79 145.08 8.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.235 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.56 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -157.74 138.43 13.04 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.01 0.433 . . . . 0.0 111.448 178.329 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -90.2 135.26 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.813 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.775 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 22.0 mtmm -139.8 148.12 41.73 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -176.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.459 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 18.3 tt0 -99.08 110.22 22.84 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.428 HG23 ' HG3' ' A' ' 43' ' ' GLU . 3.8 p -142.97 142.48 26.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HG3' HG23 ' A' ' 42' ' ' VAL . 54.2 mt-10 62.07 26.23 15.78 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -172.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 55.08 36.34 26.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.929 -174.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.446 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 7.5 ttt85 -137.85 135.67 19.1 Favored Pre-proline 0 N--CA 1.449 -0.514 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.086 -175.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 16.8 Cg_exo -67.25 111.35 2.24 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.573 2.182 . . . . 0.0 111.376 177.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.519 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . . . -125.42 132.81 52.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.21 0.529 . . . . 0.0 112.011 -176.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.45 134.39 58.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.499 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 23.6 m -118.73 136.93 53.69 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.877 -176.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.31 143.89 32.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.37 140.97 56.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 169.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.3 m -41.5 104.93 0.04 OUTLIER 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.821 0.701 . . . . 0.0 112.498 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.58 ' HB3' HD22 ' A' ' 56' ' ' LEU . 33.0 t -108.54 145.41 31.54 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.182 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -51.61 -58.83 1.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.921 2.414 . . . . 0.0 112.436 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.0 -30.37 70.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.318 -175.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.58 HD22 ' HB3' ' A' ' 53' ' ' SER . 4.4 mm? -67.93 -43.28 79.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 110.478 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.436 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -71.01 -33.5 70.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 0.0 110.548 177.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -43.81 95.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.651 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.02 -40.49 93.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.673 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 57' ' ' ALA . 84.4 mt -60.87 -30.5 70.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.925 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HA ' ' HD3' ' A' ' 61' ' ' ARG . 18.2 mmt180 -76.25 -30.92 58.05 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -176.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.03 -48.75 6.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.723 0.297 . . . . 0.0 111.356 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -92.91 155.89 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.454 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -161.94 3.73 0.05 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 p -122.24 15.74 10.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.075 0.464 . . . . 0.0 111.108 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.12 -61.39 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.346 -177.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.9 p -65.15 135.42 28.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.357 0.599 . . . . 0.0 110.464 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.488 ' HG2' ' CE1' ' A' ' 82' ' ' TYR . 10.7 tpt180 -103.32 117.99 58.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.939 -175.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -82.6 42.58 1.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.712 2.275 . . . . 0.0 111.655 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.421 ' OG ' ' HB2' ' A' ' 73' ' ' LEU . 10.1 t 56.38 -156.31 0.28 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.234 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 71' ' ' ARG . 13.3 ttm180 -142.32 -83.72 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.497 ' HE1' ' HZ3' ' A' ' 24' ' ' TRP . 33.8 p80 -96.61 -15.71 21.39 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.421 ' HB2' ' OG ' ' A' ' 70' ' ' SER . 86.1 mt -61.67 -77.67 0.04 OUTLIER 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.657 0.265 . . . . 0.0 110.788 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -164.31 143.41 7.44 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -87.12 -40.39 14.69 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.38 -28.3 5.03 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -170.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -73.71 -19.18 60.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.917 0.389 . . . . 0.0 110.247 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -137.81 161.04 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.068 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.484 ' O ' ' HA ' ' A' ' 49' ' ' SER . 11.9 m -125.66 125.71 43.52 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 170.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.1 m -116.44 116.84 28.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.027 0.441 . . . . 0.0 112.126 -168.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.5 t -104.42 119.45 53.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.901 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 86.9 m-85 -88.19 135.59 33.37 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.0 mt -79.69 76.46 6.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.111 0.481 . . . . 0.0 110.706 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.38 -89.52 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.857 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.6 38.15 0.62 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.96 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.3 t -145.8 -168.77 3.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 3.9 mm? 57.55 91.58 0.07 OUTLIER Pre-proline 0 CA--C 1.527 0.085 0 O-C-N 123.829 0.706 . . . . 0.0 110.998 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.423 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 19.1 Cg_endo -58.74 158.48 24.06 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.643 2.228 . . . . 0.0 112.622 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.453 ' HA ' HD13 ' A' ' 92' ' ' ILE . 2.2 m-20 -52.17 -33.88 42.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.371 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 p -58.31 -46.67 85.73 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.378 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.475 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.4 mm-40 -66.98 -34.11 77.04 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.934 0.397 . . . . 0.0 110.5 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 89' ' ' ASP . 68.4 mt -62.67 -38.35 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.704 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -58.24 -46.08 86.6 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -58.86 -49.82 76.31 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.679 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 96.3 mt -53.3 -48.25 68.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.678 -176.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -74.07 -43.11 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -74.44 -37.42 63.28 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.086 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.95 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.623 0.249 . . . . 0.0 111.265 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.717 ' HA ' HE21 ' A' ' 102' ' ' GLN . 19.0 p -66.85 -35.41 79.98 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.471 ' O ' HG22 ' A' ' 104' ' ' VAL . 51.6 t80 -61.54 -47.05 87.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.423 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -34.7 73.13 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.113 176.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.717 HE21 ' HA ' ' A' ' 99' ' ' SER . 43.0 mt-30 -58.02 -37.33 74.12 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.156 0.285 . . . . 0.0 110.74 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.485 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -75.96 -44.91 37.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.745 0.307 . . . . 0.0 110.747 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 100' ' ' TYR . 95.7 t -55.85 -44.55 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.338 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.12 -16.35 59.21 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.248 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 71.1 mt -86.42 -18.43 31.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.674 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.63 ' HB3' ' HB3' ' A' ' 111' ' ' LYS . 91.7 mt -76.74 140.67 67.76 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.607 ' HD2' ' HB2' ' A' ' 111' ' ' LYS . 8.2 Cg_exo -72.96 175.89 9.81 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.005 2.47 . . . . 0.0 112.469 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -51.74 -52.97 44.59 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.857 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.434 ' CD ' ' HZ1' ' A' ' 111' ' ' LYS . 3.5 tm-20 -55.93 -45.98 78.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.237 -178.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.63 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -64.7 -38.97 92.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.274 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.448 ' O ' HG22 ' A' ' 116' ' ' VAL . 69.1 mtp180 -70.82 -27.06 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.37 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 36.0 mmtm -62.47 -37.75 87.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.846 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.42 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 87.3 mt -61.49 -41.18 96.89 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.755 177.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.432 HD13 HD12 ' A' ' 107' ' ' LEU . 75.0 mt -65.51 -27.22 68.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.225 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 112' ' ' ARG . 64.0 t -79.69 -36.46 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.601 178.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -72.3 -40.5 67.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.233 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 96.8 mt . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.626 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.8 p -82.32 145.44 29.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.053 0.454 . . . . 0.0 111.897 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 mm -65.47 -28.3 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.299 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 t -57.44 -40.75 79.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.025 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -67.06 -40.01 87.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.476 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.88 -47.32 81.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.062 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.26 -43.83 95.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.315 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -66.53 -34.51 78.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.861 0.363 . . . . 0.0 110.556 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.597 ' HH ' ' HB2' ' A' ' 97' ' ' ASP . 35.8 t80 -64.76 -32.52 74.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 177.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.3 m -72.64 -40.18 66.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.387 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.541 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 2.3 mmt -67.28 -20.07 65.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.34 -7.1 56.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.021 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -93.98 114.39 63.04 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.693 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.2 105.87 0.75 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.725 2.283 . . . . 0.0 112.846 -176.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.4 -21.42 5.72 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.402 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.73 130.08 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.17 0.509 . . . . 0.0 111.595 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.1 124.67 46.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.397 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -105.99 120.61 42.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.967 0.413 . . . . 0.0 110.764 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -121.79 117.17 25.9 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.581 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -81.96 132.15 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.476 . . . . 0.0 110.349 178.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 117.46 29.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.747 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -60.95 -29.87 69.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.217 0.323 . . . . 0.0 111.559 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -80.41 -4.13 52.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.786 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -130.82 -17.33 3.19 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 60.66 29.09 18.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.464 0.65 . . . . 0.0 110.195 -174.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.768 ' HB2' ' HA ' ' A' ' 40' ' ' LYS . . . -122.74 151.6 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.777 -175.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.0 m -98.48 118.27 34.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.206 0.527 . . . . 0.0 111.654 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -100.08 128.7 46.12 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.9 mt -104.2 116.59 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.994 -171.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 33' ' ' ASP . 7.3 ptpt -120.83 169.67 10.21 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.224 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.783 HG12 HD11 ' A' ' 107' ' ' LEU . 2.3 t -89.75 -133.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 168.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.81 88.26 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.064 0.459 . . . . 0.0 109.994 172.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 32.5 t70 -154.62 -14.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.91 172.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.29 118.06 16.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.877 0.37 . . . . 0.0 110.989 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.9 tp -91.4 112.38 24.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.948 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.426 ' HA ' ' HZ1' ' A' ' 51' ' ' LYS . 33.4 p90 -100.56 -45.34 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.413 -178.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.34 162.89 39.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.675 0.274 . . . . 0.0 110.598 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.434 ' SD ' ' HD2' ' A' ' 40' ' ' LYS . 21.3 ptt? -156.73 130.89 8.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.714 0.292 . . . . 0.0 111.158 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 5.5 p -90.41 116.86 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.768 ' HA ' ' HB2' ' A' ' 26' ' ' ALA . 40.0 mtpt -138.96 111.23 7.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.824 0.345 . . . . 0.0 110.642 -173.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.507 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -75.75 112.7 12.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.21 0.529 . . . . 0.0 110.541 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.69 132.01 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 68.51 23.27 7.43 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.268 0.556 . . . . 0.0 109.627 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 t30 61.46 29.18 18.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.977 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -114.11 114.0 46.23 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.778 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.637 ' HD2' ' HB2' ' A' ' 84' ' ' ASP . 50.1 Cg_exo -54.02 122.58 11.66 Favored 'Trans proline' 0 C--O 1.239 0.532 0 C-N-CA 123.27 2.647 . . . . 0.0 112.787 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.447 ' HB2' HG23 ' A' ' 80' ' ' THR . . . -163.33 141.46 7.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.174 0.511 . . . . 0.0 111.701 -176.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 7.7 p -115.03 135.2 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.285 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 m -102.83 116.13 31.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.978 0.418 . . . . 0.0 111.253 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.425 ' N ' HD12 ' A' ' 50' ' ' LEU . 5.9 mp -103.37 165.44 11.03 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 174.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HZ1' ' HA ' ' A' ' 36' ' ' PHE . 0.8 OUTLIER -91.09 -171.57 3.03 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 171.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.7 m -61.29 98.0 0.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.374 0.607 . . . . 0.0 111.484 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.494 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . 22.6 t -110.24 140.79 22.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.382 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.42 -65.75 0.14 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 123.456 2.77 . . . . 0.0 113.665 -173.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.27 -30.5 70.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.571 0.224 . . . . 0.0 111.597 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 4.2 mm? -67.52 -50.53 58.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 0.0 110.497 177.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.26 -43.23 87.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.01 -39.93 72.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.55 -52.25 64.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.801 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.7 -29.16 62.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.64 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -65.26 -43.48 91.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.809 0.337 . . . . 0.0 110.733 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -85.67 -49.33 8.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.787 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -106.15 89.6 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.176 0.512 . . . . 0.0 110.724 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -87.57 77.19 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.077 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -145.6 156.39 43.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.927 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.0 t70 74.43 -55.63 0.65 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.079 0.952 . . . . 0.0 112.901 171.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.529 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 5.7 p -58.21 -48.39 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 67' ' ' VAL . 10.3 ptt180 67.07 152.0 0.12 Allowed Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 123.875 0.87 . . . . 0.0 111.254 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.15 111.46 1.1 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.418 2.078 . . . . 0.0 112.044 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.489 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 12.9 m -86.02 99.24 11.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.453 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -77.45 82.28 3.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.072 0.463 . . . . 0.0 111.307 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.687 ' HE1' HG21 ' A' ' 80' ' ' THR . 21.1 m80 -96.51 -49.38 5.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.213 0.53 . . . . 0.0 109.657 170.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.2 mp -143.48 -62.7 0.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.582 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.63 HD22 ' HB2' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -108.78 156.32 19.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.332 176.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -82.92 -32.09 27.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.101 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.94 94.7 2.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.113 0.482 . . . . 0.0 111.952 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.436 ' HB3' ' OD1' ' A' ' 74' ' ' ASN . 11.4 t-80 -177.67 -56.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 172.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.63 ' HB2' HD22 ' A' ' 74' ' ' ASN . 55.3 m95 -80.06 150.66 30.25 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 161.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -125.95 126.2 43.96 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.687 HG21 ' HE1' ' A' ' 72' ' ' HIS . 54.0 m -109.93 124.34 51.21 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.233 0.54 . . . . 0.0 111.404 -174.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.42 108.52 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.448 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -64.67 102.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.734 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.73 -22.55 66.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.322 0.582 . . . . 0.0 109.84 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.637 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 12.5 t70 -58.72 -27.64 65.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.36 174.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.44 -12.02 60.54 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.448 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.7 m 67.56 86.91 0.13 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.281 0.563 . . . . 0.0 111.208 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.58 152.15 38.35 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.685 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.57 144.56 41.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.677 2.251 . . . . 0.0 112.165 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -60.39 -33.18 72.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.274 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.0 m -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.518 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.481 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 15.3 mm-40 -66.48 -34.7 78.52 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.888 0.375 . . . . 0.0 110.941 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.87 -39.46 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -57.14 -42.97 81.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.204 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -67.61 -51.21 52.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.979 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 91.6 mt -53.56 -47.31 70.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.953 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.7 t -72.62 -47.8 49.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.392 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.597 ' HB2' ' HH ' ' A' ' 9' ' ' TYR . 30.9 t70 -68.12 -44.25 76.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.485 -173.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.39 90.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.934 0.397 . . . . 0.0 111.305 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.9 m -69.14 -39.0 79.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.447 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.501 ' O ' HG22 ' A' ' 104' ' ' VAL . 41.8 t80 -71.6 -38.5 70.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -42.9 79.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.195 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.488 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 49.5 mt-30 -59.0 -42.07 89.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.8 79.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.124 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 100' ' ' TYR . 94.6 t -61.81 -39.49 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.3 -16.87 61.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.901 0.381 . . . . 0.0 111.058 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 91.8 mt -84.19 -11.41 56.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 0.0 110.601 177.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.783 HD11 HG12 ' A' ' 31' ' ' VAL . 98.1 mt -93.78 145.81 30.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.766 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 16.4 Cg_exo -68.28 155.61 68.7 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 123.004 2.47 . . . . 0.0 112.328 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 6.2 tp10 -49.1 -55.37 12.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.643 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -49.27 -50.21 39.93 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.902 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.21 -41.82 99.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.453 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.456 ' O ' HG22 ' A' ' 116' ' ' VAL . 21.8 mtm180 -64.87 -37.71 88.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 43.5 mtpt -65.14 -30.61 71.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.837 0.351 . . . . 0.0 110.778 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.03 -41.01 91.49 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.258 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.46 -30.57 71.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.886 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 112' ' ' ARG . 60.0 t -62.82 -29.28 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.227 0.537 . . . . 0.0 111.065 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -73.96 -25.76 60.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.711 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.877 -178.719 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttp . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -116.49 171.18 8.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.918 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.2 tt -70.44 -21.63 23.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.136 -177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -58.23 -35.52 71.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 0.0 110.666 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -73.32 -30.57 63.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.515 ' HG ' HG22 ' A' ' 92' ' ' ILE . 2.9 mm? -73.7 -30.92 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.598 176.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -43.81 78.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.102 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -63.05 -33.27 75.08 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -73.12 -32.74 65.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.986 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.4 m -60.37 -33.11 71.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.009 0.433 . . . . 0.0 110.759 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.601 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 14.4 mmt -76.53 -7.8 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.77 -12.11 49.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.971 0.415 . . . . 0.0 110.33 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -86.29 118.33 70.17 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.804 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.31 137.43 40.03 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.521 2.147 . . . . 0.0 112.186 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.28 -21.39 38.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.757 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.91 115.22 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.698 0.285 . . . . 0.0 110.785 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -119.79 165.32 14.72 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.283 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.554 ' HG2' HG12 ' A' ' 29' ' ' ILE . 20.0 mt-30 -107.99 142.25 38.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.8 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -131.54 127.45 37.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.753 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.1 p -104.51 140.63 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.864 0.364 . . . . 0.0 110.449 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -119.36 136.23 54.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -77.14 95.96 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.164 -173.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -168.87 -69.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.53 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -92.53 -8.83 43.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.839 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.6 tttt 62.93 25.4 15.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 122.045 0.926 . . . . 0.0 108.951 -170.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.71 136.97 56.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.094 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.8 m -98.0 117.13 31.65 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -108.77 115.74 30.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.472 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.554 HG12 ' HG2' ' A' ' 18' ' ' GLN . 31.7 mt -95.48 119.36 43.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.808 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -142.28 169.1 18.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.046 0.451 . . . . 0.0 110.987 -175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.51 -133.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -52.39 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.909 0.385 . . . . 0.0 110.217 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -142.2 14.0 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.289 0.566 . . . . 0.0 109.591 170.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.0 t -88.72 104.05 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.39 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.605 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 55.5 tp -84.64 127.54 34.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.082 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -118.06 -26.27 6.44 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.563 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.4 145.71 19.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.904 0.383 . . . . 0.0 111.162 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -149.31 137.44 20.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.255 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.3 p -111.74 140.2 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.086 0.469 . . . . 0.0 111.434 -174.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -141.8 134.28 28.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.452 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.56 111.04 19.16 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.474 170.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.538 HG21 ' HG2' ' A' ' 43' ' ' GLU . 7.7 p -126.26 133.47 68.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.534 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.538 ' HG2' HG21 ' A' ' 42' ' ' VAL . 30.6 mm-40 62.44 19.91 11.5 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.401 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 68.08 29.27 6.37 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.816 -175.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -119.04 130.72 24.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.526 172.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.4 107.76 1.66 Allowed 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.331 2.02 . . . . 0.0 111.047 174.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.59 126.6 48.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.129 0.49 . . . . 0.0 111.466 -174.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -115.08 138.45 45.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 79' ' ' SER . 2.7 p -110.71 122.65 48.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.886 0.374 . . . . 0.0 111.224 -178.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.11 160.33 14.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.947 176.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.605 ' HE3' ' O ' ' A' ' 35' ' ' LEU . 94.9 mttt -70.08 -61.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 170.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.9 t -174.74 156.21 2.27 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.15 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.638 ' HB2' HD23 ' A' ' 56' ' ' LEU . 44.8 m -155.08 146.46 16.78 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 176.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.53 -48.16 22.65 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.759 2.306 . . . . 0.0 112.739 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.8 mt-10 -75.25 -29.87 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.385 -178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.638 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -64.96 -46.59 80.9 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.683 0.278 . . . . 0.0 110.535 176.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.44 70.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.069 0.461 . . . . 0.0 110.555 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.27 -51.67 65.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.867 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 92.8 mt -54.97 -40.19 69.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.511 178.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.47 -30.25 70.48 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 111.406 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -77.1 -32.88 56.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -91.8 -76.56 0.45 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -69.8 144.07 52.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -155.75 20.02 0.39 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.834 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 p -101.58 -51.63 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.942 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.67 -61.87 1.55 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.325 177.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.0 128.51 39.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.998 0.428 . . . . 0.0 110.71 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -160.54 143.95 10.06 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.707 176.01 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 16.3 Cg_exo -68.26 116.88 4.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.758 2.305 . . . . 0.0 112.021 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.5 t -155.84 -159.87 0.96 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.638 ' HE ' ' HA ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER 75.44 156.3 0.18 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.057 0.943 . . . . 0.0 110.634 -179.424 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 11.0 t-80 -68.63 -16.14 63.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.727 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.43 -179.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 110.992 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -74.22 92.85 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -69.81 -24.08 63.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.28 19.56 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.403 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -147.44 -32.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.108 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -120.15 149.45 42.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' A' ' 49' ' ' SER . 15.5 m -125.83 126.17 44.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.982 0.42 . . . . 0.0 109.954 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.2 m -110.39 118.28 35.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.3 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 t -105.08 129.13 58.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.505 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.468 ' HE1' HG13 ' A' ' 42' ' ' VAL . 98.8 m-85 -86.0 111.27 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.91 176.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.508 HD21 HG12 ' A' ' 92' ' ' ILE . 92.7 mt -96.76 48.82 1.07 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.018 0.437 . . . . 0.0 111.025 -175.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -100.22 68.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 0.0 110.673 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.72 -8.39 28.59 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.525 -0.761 . . . . 0.0 113.529 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 p -77.34 -46.49 22.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 87' ' ' LEU . 4.0 mm? -89.39 142.14 29.47 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.826 -177.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 60.2 Cg_endo -73.87 164.64 34.1 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.635 2.223 . . . . 0.0 112.263 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.9 -47.49 67.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.444 -175.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m -62.37 -33.68 75.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.856 -172.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.598 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 15.8 mm100 -70.63 -39.44 73.68 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.835 0.35 . . . . 0.0 110.516 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.515 HG22 ' HG ' ' A' ' 6' ' ' LEU . 61.9 mt -65.89 -41.21 89.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.763 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -61.16 -43.16 99.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.411 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -58.6 -43.44 89.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.252 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 78.9 mt -55.46 -45.01 76.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.505 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -77.26 -50.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.525 -176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.12 -42.99 83.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.537 -173.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.0 -45.29 82.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.676 0.274 . . . . 0.0 111.544 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.554 ' HA ' HE21 ' A' ' 102' ' ' GLN . 35.3 m -61.37 -42.02 98.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.489 ' O ' HG23 ' A' ' 104' ' ' VAL . 76.2 t80 -65.92 -46.57 77.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.852 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -54.35 47.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -175.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.554 HE21 ' HA ' ' A' ' 99' ' ' SER . 26.4 pt20 -63.14 -32.75 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -175.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.94 78.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 100' ' ' TYR . 93.9 t -66.56 -36.77 78.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.855 179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.23 -22.14 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 93.3 mt -87.26 -5.42 58.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.476 -176.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.49 148.96 56.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.065 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.456 ' HG2' ' HG2' ' A' ' 111' ' ' LYS . 41.7 Cg_endo -68.81 173.89 9.45 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 123.0 2.467 . . . . 0.0 113.687 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -49.66 -52.03 33.77 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.754 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -54.32 -52.94 59.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.373 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.456 ' HG2' ' HG2' ' A' ' 108' ' ' PRO . 29.4 mmmt -66.53 -50.67 62.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.007 -176.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.53 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.1 OUTLIER -49.91 -41.69 46.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.122 178.153 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -54.26 -51.99 62.8 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.454 0.471 . . . . 0.0 111.31 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.46 -41.07 98.49 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.143 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.408 HD13 HG13 ' A' ' 104' ' ' VAL . 92.1 mt -64.49 -26.19 68.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.537 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 112' ' ' ARG . 94.3 t -77.93 -38.82 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.605 0.24 . . . . 0.0 110.436 177.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.68 -48.59 78.64 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.796 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.769 -0.634 . . . . 0.0 111.171 -173.849 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 121.048 0.451 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.1 158.15 15.59 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.126 -175.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.411 HD12 ' HB3' ' A' ' 46' ' ' PRO . 40.7 mm -61.87 -35.39 67.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.225 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 m -57.1 -39.48 75.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.061 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -69.88 -43.34 72.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.448 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.33 -39.34 92.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.055 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.78 -51.1 70.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.094 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -63.88 -31.52 72.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.851 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -64.02 -35.69 81.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.262 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.2 m -73.26 -37.23 66.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.501 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -72.38 -9.18 58.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 178.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.89 -3.75 58.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.052 0.453 . . . . 0.0 110.436 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 69.3 mmtt -100.13 123.1 48.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.96 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 22.5 Cg_exo -64.89 130.0 24.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.282 . . . . 0.0 112.384 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.88 -16.43 58.5 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.085 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.07 139.53 30.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -144.01 165.41 27.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.311 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -90.08 149.58 22.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.294 0.569 . . . . 0.0 111.874 -174.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.654 ' HB2' ' HB2' ' A' ' 28' ' ' GLN . 37.6 m -145.58 160.32 41.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.676 172.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 12.6 p -150.78 149.26 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.05 0.453 . . . . 0.0 111.408 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -135.73 143.69 45.48 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.83 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -81.95 116.51 21.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.218 0.532 . . . . 0.0 112.071 -174.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 179.63 -65.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.363 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -128.51 20.26 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.17 176.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.8 tttt 52.29 74.45 0.27 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.752 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' O ' ' HA ' ' A' ' 20' ' ' VAL . . . -95.49 107.17 19.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.538 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -80.93 116.05 20.71 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.654 ' HB2' ' HB2' ' A' ' 19' ' ' SER . 46.4 mt-30 -106.54 137.86 43.77 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 -171.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.8 mt -112.42 109.73 29.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.396 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -139.01 164.82 28.74 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.899 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -92.9 -132.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -41.1 -69.26 0.14 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.215 0.531 . . . . 0.0 110.485 173.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -148.35 11.76 0.91 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.631 0.729 . . . . 0.0 109.519 171.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.8 t -82.7 100.79 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.166 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.4 tp -88.4 124.69 34.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.664 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 16.8 p90 -115.4 -30.07 6.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.626 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.27 150.03 19.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.976 0.417 . . . . 0.0 111.267 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.16 144.47 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 175.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 11.2 p -108.15 135.9 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.311 0.577 . . . . 0.0 111.119 -176.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HB2' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -128.57 160.24 33.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.58 111.56 17.82 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.482 HG23 ' HG2' ' A' ' 43' ' ' GLU . 11.9 p -144.0 143.82 23.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.015 -175.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' HG2' HG23 ' A' ' 42' ' ' VAL . 41.4 mm-40 62.57 24.32 14.47 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.813 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 69.2 22.92 6.55 Favored 'General case' 0 CA--C 1.519 -0.214 0 O-C-N 123.979 0.799 . . . . 0.0 110.429 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 48.6 mtt85 -135.44 131.67 19.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 12.7 Cg_exo -70.48 126.83 13.25 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.649 2.233 . . . . 0.0 111.316 175.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.21 139.87 46.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.704 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.37 142.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 79' ' ' SER . 50.1 m -111.68 124.75 52.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.152 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.01 160.38 17.53 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -91.16 136.28 33.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.42 98.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.462 0.648 . . . . 0.0 112.565 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.69 ' HB2' HD23 ' A' ' 56' ' ' LEU . 6.4 m -92.54 166.35 17.15 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.087 176.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.437 ' HD2' ' HB3' ' A' ' 53' ' ' SER . 91.0 Cg_exo -42.83 -55.31 2.8 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.125 2.55 . . . . 0.0 113.563 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -77.6 -40.43 42.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.654 0.264 . . . . 0.0 111.174 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.69 HD23 ' HB2' ' A' ' 53' ' ' SER . 3.8 mm? -62.99 -33.78 76.14 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.515 -177.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.12 -27.07 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 111.019 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -72.31 -39.38 68.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.052 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mp -54.55 -43.9 72.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.355 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.575 ' HA ' HG12 ' A' ' 67' ' ' VAL . 10.4 tt -69.03 -38.21 79.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.247 0.546 . . . . 0.0 110.223 177.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -61.81 -44.24 97.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.946 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -88.07 -50.18 6.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.894 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -98.29 104.93 17.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -175.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -89.55 0.49 56.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.647 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.5 m -97.19 -38.25 9.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -175.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.95 -26.3 34.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -171.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.575 HG12 ' HA ' ' A' ' 60' ' ' LEU . 12.0 p -118.18 145.43 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.302 0.572 . . . . 0.0 112.212 -171.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 68' ' ' ARG . 36.7 mmt180 -120.24 141.05 31.04 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.927 173.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 13.6 Cg_exo -70.7 -2.66 11.2 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.477 2.785 . . . . 0.0 113.827 -174.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.1 m 64.57 71.79 0.46 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.086 0.47 . . . . 0.0 111.489 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -76.38 13.97 0.85 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.264 -175.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -95.19 -16.85 22.23 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mp -122.67 -55.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.095 0.474 . . . . 0.0 110.7 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.505 ' C ' HD21 ' A' ' 74' ' ' ASN . 0.3 OUTLIER -128.84 -174.45 3.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.002 -175.167 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -82.72 -56.18 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 170.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.62 93.84 1.03 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.106 0.479 . . . . 0.0 111.501 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.459 ' HB2' ' OD1' ' A' ' 74' ' ' ASN . 96.2 m-70 -139.31 -58.81 0.59 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -82.2 144.57 30.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 170.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.535 ' O ' ' HA ' ' A' ' 49' ' ' SER . 12.9 m -125.0 128.86 49.21 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.844 0.354 . . . . 0.0 110.555 -175.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.8 m -108.57 119.47 39.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.621 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.9 m -110.98 140.35 30.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.976 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -85.06 128.93 34.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.901 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.32 9.97 9.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -129.59 93.6 3.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.66 -43.91 1.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.674 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 m -95.83 129.36 43.09 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 91' ' ' GLN . 72.4 mt 65.06 126.91 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.396 0 CA-C-O 121.495 0.664 . . . . 0.0 111.975 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 23.7 Cg_exo -65.0 161.76 35.46 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.609 2.206 . . . . 0.0 111.5 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -64.79 -20.1 66.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.463 -175.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -70.49 -35.24 73.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.077 0.465 . . . . 0.0 110.378 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.446 ' HG2' HD22 ' A' ' 87' ' ' LEU . 7.0 tp60 -70.35 -30.56 67.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.73 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.6 mt -54.74 -37.77 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.266 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -60.09 -45.45 92.9 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.974 0.416 . . . . 0.0 110.328 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -58.91 -44.41 91.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.964 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.42 -40.45 74.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.389 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.35 -50.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 0.2 OUTLIER -69.18 -41.91 76.54 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -173.657 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.84 92.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.821 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.664 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 19.0 m -64.89 -41.06 95.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.295 177.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' O ' HG22 ' A' ' 104' ' ' VAL . 59.3 t80 -66.54 -42.68 86.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.173 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 32.7 mm-40 -58.54 -43.85 89.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.576 0.227 . . . . 0.0 111.068 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -62.2 -42.67 99.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 177.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.552 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -60.7 -42.11 96.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.474 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 100' ' ' TYR . 99.7 t -60.12 -36.41 67.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -77.08 -16.73 59.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.02 -16.09 26.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.336 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 93.5 mt -75.13 135.78 73.16 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.479 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 17.4 Cg_exo -68.01 168.18 19.64 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.969 2.446 . . . . 0.0 112.709 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' HG3' ' HE2' ' A' ' 113' ' ' LYS . 7.8 tp10 -48.89 -52.56 23.74 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.917 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -52.6 -42.09 64.24 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.357 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 111' ' ' LYS . 4.5 mptp? -72.4 -44.7 62.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.108 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 112' ' ' ARG . 49.6 mtp180 -59.93 -31.95 70.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.849 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.521 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 59.2 mmtt -60.54 -44.6 95.93 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.149 0.499 . . . . 0.0 110.377 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 83.8 mt -63.35 -39.57 94.9 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.127 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.77 -29.39 66.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.222 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.09 -33.41 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.069 0.462 . . . . 0.0 110.711 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.43 -37.23 68.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.972 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 96.9 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.581 -0.723 . . . . 0.0 111.481 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.534 ' HB2' ' HB3' ' A' ' 89' ' ' ASP . 10.0 tmm? . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.76 175.81 5.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.782 -171.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.4 mm -54.5 -33.39 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.859 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 p -58.36 -45.71 87.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 0.0 111.118 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.533 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 28.0 mt-10 -77.46 -42.01 37.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.368 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.46 -48.75 71.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.653 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.656 HD21 HG22 ' A' ' 27' ' ' THR . 0.9 OUTLIER -55.01 -48.03 73.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.572 -177.854 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -66.92 -35.97 81.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.249 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -64.85 -42.3 95.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.689 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.26 -35.25 80.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.071 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.531 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 29.6 mmt -79.26 -10.7 59.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.124 -177.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.43 -8.87 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.184 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -114.01 118.69 42.09 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.662 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.06 145.05 66.16 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.177 2.585 . . . . 0.0 112.561 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.07 -21.41 29.36 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.795 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.31 122.87 42.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.109 0.481 . . . . 0.0 111.259 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -106.63 142.13 36.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.373 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.442 HE21 HD12 ' A' ' 7' ' ' LEU . 19.2 tt0 -89.77 135.69 33.48 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.8 p -146.15 122.55 10.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -93.09 128.6 44.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -99.83 97.38 8.3 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.82 101.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.298 0.571 . . . . 0.0 110.144 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 t70 172.1 -65.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 -173.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -88.35 -23.1 23.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.597 169.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? 59.43 71.98 0.55 Allowed 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.864 -171.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 39' ' ' VAL . . . -150.09 177.86 9.5 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.703 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.656 HG22 HD21 ' A' ' 7' ' ' LEU . 22.8 m -108.1 128.7 54.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.388 0.613 . . . . 0.0 112.0 -173.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.574 ' CG ' ' HG3' ' A' ' 38' ' ' MET . 7.7 mt-30 -105.79 128.04 53.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.206 172.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.2 mt -99.33 108.8 23.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.64 ' HB3' HD22 ' A' ' 35' ' ' LEU . 11.9 ptmm? -133.01 161.47 34.27 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.22 -171.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.776 HG13 HD12 ' A' ' 107' ' ' LEU . 2.3 t -87.12 -134.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 168.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.91 -57.02 14.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.945 0.402 . . . . 0.0 110.296 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.42 14.35 1.25 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.849 0.833 . . . . 0.0 109.823 174.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.0 t -97.51 116.39 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.183 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 30' ' ' LYS . 33.9 mt -93.01 129.81 38.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.651 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.616 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 55.3 p90 -124.45 -9.15 7.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.943 176.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.3 140.85 11.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 111.041 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.574 ' HG3' ' CG ' ' A' ' 28' ' ' GLN . 26.6 ttm -151.0 116.32 5.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.96 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.58 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 8.0 p -107.31 132.98 53.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.803 0.335 . . . . 0.0 110.743 -176.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -127.8 159.23 35.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.228 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -106.25 110.73 23.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.144 0.497 . . . . 0.0 109.733 172.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.534 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.1 p -123.12 132.8 70.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.534 ' HG3' HG22 ' A' ' 42' ' ' VAL . 38.1 mt-10 61.15 24.59 14.68 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -174.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.2 t30 67.38 23.88 9.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.534 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 34.4 ptt180 -129.94 141.17 40.94 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.827 0.346 . . . . 0.0 110.375 174.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 15.0 Cg_exo -69.12 126.38 13.66 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.258 2.639 . . . . 0.0 113.043 -176.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.45 127.81 38.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.611 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.6 p -115.32 142.43 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.933 0.397 . . . . 0.0 110.769 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.592 ' HB3' ' HB3' ' A' ' 78' ' ' TRP . 18.7 m -110.91 123.33 49.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.753 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.492 HD23 HD11 ' A' ' 56' ' ' LEU . 8.3 mp -113.76 176.56 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.648 176.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -89.83 155.55 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.8 m -62.76 103.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.118 0.485 . . . . 0.0 111.215 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.561 ' HB3' HD23 ' A' ' 56' ' ' LEU . 35.8 t -117.46 147.99 41.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.461 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -46.63 -55.14 4.05 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.304 2.669 . . . . 0.0 113.353 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -72.94 -28.54 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.561 HD23 ' HB3' ' A' ' 53' ' ' SER . 3.9 mm? -63.14 -35.52 80.57 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.229 173.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.25 -38.51 65.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.034 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -54.29 -48.43 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.714 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.0 tp -52.69 -51.56 59.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.398 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.99 -29.69 70.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.77 0.319 . . . . 0.0 111.68 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -72.68 -44.24 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.558 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.17 -35.52 18.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.489 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -118.08 96.39 5.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.221 0.534 . . . . 0.0 110.658 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -120.92 72.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.013 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.7 p -101.75 -67.32 0.87 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.152 0.501 . . . . 0.0 110.978 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -121.02 7.47 10.34 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.394 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.6 m -79.68 129.87 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 0.0 110.772 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.485 ' O ' ' HB ' ' A' ' 80' ' ' THR . 38.3 ptt180 -160.29 149.31 13.84 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.877 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.11 159.5 30.21 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.338 2.025 . . . . 0.0 112.954 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.6 p -114.79 139.51 49.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.85 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.471 ' HE ' ' HB2' ' A' ' 71' ' ' ARG . 5.5 ttm180 -79.27 -38.15 36.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.836 0.351 . . . . 0.0 111.003 -172.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -65.93 -27.45 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.901 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.25 -23.38 19.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.627 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 68.19 122.85 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.06 0.85 . . . . 0.0 111.434 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -62.47 -25.83 68.2 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.235 -177.323 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.18 -17.55 64.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.461 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -116.45 -49.01 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.568 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.592 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 85.4 m95 -123.31 149.83 44.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.307 0.575 . . . . 0.0 112.079 -175.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.492 ' O ' ' HA ' ' A' ' 49' ' ' SER . 51.4 m -124.82 132.36 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 172.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.485 ' HB ' ' O ' ' A' ' 68' ' ' ARG . 22.3 m -100.83 120.52 40.24 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.344 0.593 . . . . 0.0 111.917 -170.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.92 120.67 64.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.431 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -86.85 154.39 20.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.037 0.446 . . . . 0.0 110.746 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.463 HD21 HD13 ' A' ' 87' ' ' LEU . 88.7 mt -98.84 24.28 7.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -77.48 -33.22 54.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.117 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.86 19.57 3.3 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 113.234 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 m 58.32 75.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.158 0.504 . . . . 0.0 110.941 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD13 HD21 ' A' ' 83' ' ' LEU . 95.4 mt -93.37 128.11 43.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.25 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -69.14 162.64 40.95 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.685 2.257 . . . . 0.0 111.926 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.7 p-10 -60.2 -36.39 77.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.24 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -53.3 -40.82 65.05 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.374 0.421 . . . . 0.0 111.609 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -44.94 57.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.32 0.581 . . . . 0.0 109.885 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.95 -32.62 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.617 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -54.71 -46.03 74.12 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.356 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -62.08 -44.42 96.71 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.586 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.4 mt -56.6 -41.72 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.6 t -77.52 -44.84 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.51 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -72.04 -36.0 69.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.895 0.379 . . . . 0.0 111.415 -173.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -67.49 -41.02 85.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.258 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.616 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 9.7 p -70.64 -38.77 73.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.629 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -58.14 -43.21 87.21 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.266 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -57.51 -49.02 77.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.421 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.539 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 78.1 mt-30 -53.68 -55.02 29.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.849 178.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.428 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -54.59 -48.39 72.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.088 -175.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.04 -41.24 92.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.118 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -74.13 -24.89 59.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.409 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 93.8 mt -74.77 -21.68 59.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.786 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.776 HD12 HG13 ' A' ' 31' ' ' VAL . 97.0 mt -78.85 147.03 69.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.9 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.19 156.03 52.93 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.849 2.366 . . . . 0.0 112.199 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 3.9 mm-40 -48.84 -44.32 39.4 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.579 -177.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -49.04 -52.79 23.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -37.1 57.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.478 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.44 ' O ' HG21 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -61.74 -36.87 82.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.029 -174.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 75.3 mmtt -63.81 -47.99 78.67 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.007 0.432 . . . . 0.0 110.647 177.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.62 -42.53 97.03 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.07 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.88 -37.7 80.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.209 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 112' ' ' ARG . 91.2 t -71.86 -30.28 36.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.428 . . . . 0.0 111.066 -178.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 26.5 mm-40 -69.62 -27.94 65.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.869 -177.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.797 -178.5 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.778 0.323 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.24 165.33 11.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 175.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.519 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 47.0 mm -58.83 -37.42 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.358 -178.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -60.99 -45.43 94.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.573 0.225 . . . . 0.0 111.206 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.65 -37.18 82.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.757 0.313 . . . . 0.0 110.158 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.623 HD13 HG23 ' A' ' 96' ' ' VAL . 49.8 tp -60.94 -49.52 77.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 176.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 81.1 mt -59.75 -37.52 79.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.782 178.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.84 -39.12 76.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.495 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -65.66 -32.73 74.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.1 m -66.9 -15.34 63.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.173 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.535 ' HA ' ' HE1' ' A' ' 11' ' ' MET . 2.8 mmt -83.15 -0.63 50.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.153 0.501 . . . . 0.0 110.168 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.16 9.36 39.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.445 0.64 . . . . 0.0 109.896 174.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -111.64 100.23 47.45 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.124 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.01 117.36 4.1 Favored 'Trans proline' 0 CA--C 1.527 0.153 0 C-N-CA 122.586 2.191 . . . . 0.0 112.739 -175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.2 -24.47 14.2 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.301 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.37 132.03 35.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.72 0.295 . . . . 0.0 110.679 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -131.63 151.73 51.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.945 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.546 ' HG2' HG12 ' A' ' 29' ' ' ILE . 47.6 mt-30 -107.86 145.45 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.564 -174.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 p -153.41 126.9 8.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.666 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.9 p -80.5 126.94 39.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 175.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -104.48 138.0 41.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.702 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -78.91 87.38 4.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.486 -174.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.28 -71.7 0.47 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.61 172.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -152.87 67.42 0.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.491 0.662 . . . . 0.0 110.0 170.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.6 tttt 57.46 74.05 0.44 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.297 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.643 ' HB1' ' HD3' ' A' ' 40' ' ' LYS . . . -130.62 113.35 14.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.106 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.555 ' HB ' ' CG1' ' A' ' 39' ' ' VAL . 31.8 m -94.4 117.31 29.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HB3' HD12 ' A' ' 35' ' ' LEU . 72.0 mt-30 -102.52 134.48 45.79 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.446 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.546 HG12 ' HG2' ' A' ' 18' ' ' GLN . 37.0 mt -110.08 118.77 57.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.343 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -135.8 169.34 17.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.309 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.412 HG11 ' H ' ' A' ' 32' ' ' GLU . 2.1 t -94.23 -137.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 170.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.712 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 5.8 mm-40 -65.11 -56.87 10.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.059 0.457 . . . . 0.0 110.766 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -126.21 -11.49 6.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.1 t -96.57 110.58 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.764 -172.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.41 HD12 ' HB3' ' A' ' 28' ' ' GLN . 60.6 tp -88.21 130.83 34.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 172.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -132.7 -18.97 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.11 140.68 32.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.5 ' SD ' ' HE2' ' A' ' 40' ' ' LYS . 15.5 ttm -138.7 115.69 10.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.562 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.555 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 7.3 p -90.53 125.11 43.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.643 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 2.4 tppt? -145.09 129.02 17.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.907 -173.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 47.1 mt-10 -90.06 110.92 21.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.28 0.562 . . . . 0.0 111.013 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.435 HG12 ' HE2' ' A' ' 82' ' ' TYR . 4.0 p -121.6 139.74 47.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 173.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 66.28 17.0 10.62 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.673 0.749 . . . . 0.0 108.985 -169.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 60.65 25.59 15.33 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.492 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.53 136.47 22.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 169.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.501 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 17.6 Cg_endo -58.25 123.6 14.0 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.785 2.324 . . . . 0.0 111.709 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.479 ' HB1' HG21 ' A' ' 80' ' ' THR . . . -144.56 144.29 31.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.639 -176.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.83 129.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.122 0.487 . . . . 0.0 110.913 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 14.9 m -94.82 128.36 41.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.862 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mp -98.48 157.65 16.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.387 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -62.87 -54.52 37.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.667 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.638 HG21 ' H ' ' A' ' 53' ' ' SER . 4.6 t -172.38 -64.87 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.667 176.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.95 ' HB2' ' HB2' ' A' ' 56' ' ' LEU . 8.9 m 66.88 132.71 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.559 0 CA-C-O 121.412 0.625 . . . . 0.0 112.003 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.44 -57.85 0.42 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.536 2.157 . . . . 0.0 112.837 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.04 -31.66 72.34 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.728 0.299 . . . . 0.0 110.941 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.95 ' HB2' ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -67.67 -38.35 83.63 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.843 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.505 ' O ' ' HD3' ' A' ' 61' ' ' ARG . . . -57.08 -43.68 82.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.381 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -62.0 -51.18 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.15 175.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.4 tt -52.61 -47.71 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.144 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 75.2 mt -63.97 -32.52 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.505 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 2.1 mpt_? -76.84 -27.45 55.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.272 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.15 -45.6 14.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.626 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.92 -155.41 0.35 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 123.27 0.356 . . . . 0.0 111.236 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 75.35 -68.17 0.22 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.421 0.688 . . . . 0.0 111.965 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.5 m -92.17 -36.65 13.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.75 0.309 . . . . 0.0 110.955 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.21 121.45 38.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.727 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.521 ' H ' HD22 ' A' ' 87' ' ' LEU . 93.0 t 71.88 141.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.815 0.817 . . . . 0.0 112.654 174.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -124.9 154.68 70.98 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.374 174.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -39.53 110.87 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.912 3.075 . . . . 0.0 114.075 -175.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.63 ' HB3' ' HE1' ' A' ' 82' ' ' TYR . 36.4 p -88.55 106.0 18.01 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.588 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -95.06 49.84 1.24 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.398 0.618 . . . . 0.0 110.034 -175.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.469 ' HE1' ' HB3' ' A' ' 78' ' ' TRP . 6.7 p80 -95.11 -49.09 5.67 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.652 -175.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -147.28 -154.03 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -173.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -54.23 105.8 0.17 Allowed 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -71.99 -27.26 62.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.205 -173.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.25 21.07 3.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.199 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -145.7 -53.31 0.27 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 110.602 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.469 ' HB3' ' HE1' ' A' ' 72' ' ' HIS . 89.6 m95 -108.23 128.7 54.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.1 m -125.16 140.67 52.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.479 HG21 ' HB1' ' A' ' 47' ' ' ALA . 24.2 m -121.27 132.45 54.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.547 -172.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.6 t -90.46 113.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.512 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.63 ' HE1' ' HB3' ' A' ' 70' ' ' SER . 32.8 m-85 -87.65 129.25 35.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.543 -176.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.9 50.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 169.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.48 -81.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.132 -172.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.55 21.87 0.48 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 16.2 m -146.64 -171.07 3.67 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.521 HD22 ' H ' ' A' ' 67' ' ' VAL . 95.6 mt 74.57 145.02 0.11 Allowed Pre-proline 0 CA--C 1.532 0.272 0 O-C-N 124.013 0.821 . . . . 0.0 111.375 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 3.0 Cg_exo -75.96 141.64 24.18 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.928 2.418 . . . . 0.0 112.471 -177.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.45 -38.2 89.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.422 0.629 . . . . 0.0 110.031 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.8 m -60.88 -28.22 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.022 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.591 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 5.2 tp60 -63.92 -35.36 80.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.246 -178.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.4 mt -60.37 -40.19 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.443 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 99.8 m-85 -56.29 -45.41 80.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.905 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.61 -42.69 77.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.618 HD21 HD12 ' A' ' 56' ' ' LEU . 71.4 mt -59.14 -46.69 87.71 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.396 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.623 HG23 HD13 ' A' ' 6' ' ' LEU . 59.7 t -68.68 -44.54 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 36.8 t70 -66.24 -42.35 88.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.354 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.14 72.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 111.216 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.457 ' HA ' ' NE2' ' A' ' 102' ' ' GLN . 41.7 m -69.61 -34.53 74.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 110.239 177.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -73.04 -37.95 66.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.707 177.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 31.6 mm-40 -56.86 -44.04 81.79 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 111.046 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.457 ' NE2' ' HA ' ' A' ' 99' ' ' SER . 42.8 mt-30 -56.08 -40.9 74.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.169 178.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.93 -41.12 95.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.75 -32.41 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -76.76 -21.17 55.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.6 mt -88.83 -33.1 17.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.003 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 96.4 mt -63.75 135.23 96.19 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.357 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.52 ' HG2' ' HG2' ' A' ' 111' ' ' LYS . 38.1 Cg_endo -69.81 -173.59 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.921 2.414 . . . . 0.0 113.302 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -53.42 -54.18 40.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.32 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.22 -53.11 55.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.823 -174.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.712 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 26.4 mmmt -65.14 -52.19 56.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.021 -171.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.43 ' O ' HG21 ' A' ' 116' ' ' VAL . 33.2 mtp85 -53.22 -49.81 66.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.896 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -57.25 -44.2 83.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.672 0.272 . . . . 0.0 111.613 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.03 -47.97 64.11 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.738 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 75.3 mt -67.75 -27.57 66.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.165 -173.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 112' ' ' ARG . 78.3 t -77.02 -30.46 17.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.042 0.448 . . . . 0.0 110.885 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -70.57 -28.54 64.96 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.472 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.835 -174.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HE1' ' CE2' ' A' ' 93' ' ' TYR . 23.2 ptp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.38 148.09 45.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.252 0.345 . . . . 0.0 110.919 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 39.5 mm -62.22 -34.48 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -175.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 p -59.85 -51.4 69.87 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -176.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.57 -34.99 79.55 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.879 0.371 . . . . 0.0 110.524 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.28 -45.77 83.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.946 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 72.4 mt -61.55 -36.44 80.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.087 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -64.57 -43.85 92.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.26 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -60.77 -32.56 71.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.364 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.6 m -59.68 -46.87 87.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.298 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mtp -85.43 0.63 51.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.76 0.314 . . . . 0.0 111.716 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.57 -20.99 61.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.188 0.518 . . . . 0.0 109.693 175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -87.03 122.22 71.24 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.639 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.13 127.49 25.29 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.1 2.533 . . . . 0.0 112.841 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.454 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 108.04 -27.89 13.35 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.717 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 123.73 24.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.255 0.55 . . . . 0.0 111.956 -175.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -123.6 129.17 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.956 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.534 ' HG2' HG12 ' A' ' 29' ' ' ILE . 43.6 mt-30 -103.89 138.31 40.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.634 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 m -141.96 111.51 6.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.48 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.602 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.9 p -75.67 116.52 18.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.349 0.595 . . . . 0.0 110.254 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.66 120.42 24.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.695 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -74.54 96.06 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.806 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -159.15 -67.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.868 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -144.61 34.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.017 0.437 . . . . 0.0 110.776 177.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.0 mttt 65.27 77.65 0.3 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.069 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -133.94 105.75 6.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.115 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.602 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 26.0 m -92.43 117.22 29.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.927 0.394 . . . . 0.0 110.148 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.479 ' HB3' HD13 ' A' ' 35' ' ' LEU . 50.2 mt-30 -99.81 123.92 44.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.247 -177.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.534 HG12 ' HG2' ' A' ' 18' ' ' GLN . 14.3 mt -104.07 117.2 49.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -129.17 149.09 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.152 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.569 ' HB ' HD23 ' A' ' 115' ' ' LEU . 20.1 m -93.95 11.44 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.372 0.606 . . . . 0.0 110.727 177.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 174.8 -82.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -142.69 16.02 1.97 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 166.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.06 103.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 114.398 -1.273 . . . . 0.0 109.735 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 28' ' ' GLN . 55.9 tp -81.61 110.5 17.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.58 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -95.15 -39.85 9.9 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.026 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.24 160.91 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.469 0.176 . . . . 0.0 110.67 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.458 ' HE2' HD23 ' A' ' 35' ' ' LEU . 17.4 ptp -148.38 150.61 33.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.43 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 7.6 p -110.7 133.96 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.159 0.504 . . . . 0.0 109.655 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.709 ' HB2' ' HZ3' ' A' ' 40' ' ' LYS . 9.3 mtmp? -136.0 142.46 44.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 -177.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -99.03 111.29 23.73 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.89 144.79 27.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 65.05 21.4 12.25 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -173.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 65.4 20.6 11.8 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.404 -175.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -118.91 129.76 25.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.374 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.43 107.74 1.67 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.208 1.939 . . . . 0.0 110.928 172.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -124.45 152.25 43.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.996 -175.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -115.99 141.34 33.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.365 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 79' ' ' SER . 67.2 m -115.45 124.71 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.925 0.393 . . . . 0.0 110.806 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -112.82 172.76 6.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.331 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -89.06 -176.7 5.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.781 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 t -77.99 77.59 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.775 0.798 . . . . 0.0 110.897 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.757 ' HB2' HD23 ' A' ' 56' ' ' LEU . 15.6 m -89.5 152.73 47.67 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.634 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.3 -56.69 2.57 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.277 2.651 . . . . 0.0 113.645 -177.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.83 -32.71 72.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.697 0.284 . . . . 0.0 111.146 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.757 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -70.27 -38.26 75.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.786 0.327 . . . . 0.0 110.574 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.48 87.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.343 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -68.46 -47.13 67.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.28 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.54 -42.04 67.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.731 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.27 -36.97 66.68 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 111.614 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -77.32 -49.09 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.492 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -78.23 -40.41 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -172.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -120.23 93.2 3.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.067 0.46 . . . . 0.0 109.903 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -117.14 2.72 12.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.286 0.565 . . . . 0.0 110.255 -173.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.7 m -84.85 33.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.922 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -166.0 -59.84 0.03 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 111.06 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.535 HG13 HG22 ' A' ' 81' ' ' VAL . 17.6 m -58.26 120.36 4.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.82 -176.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' O ' ' HB ' ' A' ' 80' ' ' THR . 73.3 mtm180 -132.27 103.41 13.92 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.298 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -57.85 -40.12 81.22 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.251 2.634 . . . . 0.0 112.695 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.3 t 72.58 147.05 0.08 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.796 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -75.9 -5.52 46.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.175 0.512 . . . . 0.0 110.446 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -31.21 63.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.252 178.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.661 HD11 ' HE2' ' A' ' 40' ' ' LYS . 87.4 mt -108.76 -25.17 10.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.874 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.8 t30 75.67 139.72 0.07 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.991 0.917 . . . . 0.0 110.745 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -53.43 -57.73 9.63 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -169.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.91 23.71 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -118.82 -58.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.422 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 91.6 m95 -135.68 148.06 48.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.5 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' A' ' 49' ' ' SER . 35.6 t -125.67 131.89 52.53 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 68' ' ' ARG . 29.5 m -106.74 116.25 31.6 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.544 -171.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.535 HG22 HG13 ' A' ' 67' ' ' VAL . 43.2 t -95.72 126.34 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.743 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.438 ' HE1' ' HB2' ' A' ' 68' ' ' ARG . 68.2 m-85 -95.87 124.0 39.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.052 0.453 . . . . 0.0 110.52 -178.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.2 57.96 2.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.698 0.761 . . . . 0.0 110.777 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -89.49 -23.58 22.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.121 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.12 -0.58 6.09 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.602 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -67.61 -40.16 84.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 0.0 110.739 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.74 145.85 30.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.887 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.91 163.17 38.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.609 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.43 -38.09 88.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.348 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -60.93 -27.76 68.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.395 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.559 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 51.4 tp60 -62.83 -32.91 74.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.621 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.39 -41.19 88.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.29 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.4 ' CE2' ' HE1' ' A' ' 1' ' ' MET . 23.1 m-85 -59.92 -44.19 94.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.855 0.359 . . . . 0.0 110.971 177.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -62.29 -42.92 99.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.214 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 88.2 mt -55.63 -42.12 74.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.607 -176.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.53 -46.21 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.673 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -69.37 -37.93 77.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.767 0.318 . . . . 0.0 111.087 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.55 -34.79 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -177.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 p -73.09 -38.42 66.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.609 0.242 . . . . 0.0 110.877 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.467 ' O ' HG21 ' A' ' 104' ' ' VAL . 85.8 t80 -66.27 -45.23 81.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.1 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -54.6 45.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.857 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.33 -35.44 75.63 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.704 -175.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.0 -41.08 97.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 100' ' ' TYR . 59.0 t -64.5 -30.5 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -75.03 -23.7 58.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.64 -16.4 27.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.499 -175.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.448 HD12 HD12 ' A' ' 115' ' ' LEU . 90.9 mt -88.03 144.39 34.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.304 -176.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.59 168.14 20.72 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.891 2.394 . . . . 0.0 112.323 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.532 ' OE1' ' HE3' ' A' ' 113' ' ' LYS . 7.0 tp10 -54.12 -44.33 71.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.497 -176.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -48.62 -50.47 32.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.308 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.584 ' HE3' ' HA ' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -75.8 -41.79 51.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.006 0.431 . . . . 0.0 110.622 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.432 HH21 ' CD ' ' A' ' 109' ' ' GLU . 50.7 ttp180 -56.44 -39.37 73.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.737 -178.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.695 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 9.8 mmpt? -63.44 -48.06 79.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.967 0.413 . . . . 0.0 110.384 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 38.4 mt -63.9 -38.23 90.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.928 -176.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.569 HD23 ' HB ' ' A' ' 31' ' ' VAL . 77.4 mt -57.18 -37.59 72.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.061 0.457 . . . . 0.0 111.05 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 28.4 t -76.27 -28.34 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.444 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 31.5 mm-40 -75.1 -28.98 60.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.681 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 93.7 mt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.54 -0.743 . . . . 0.0 111.127 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.931 0.396 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.5 p -85.75 171.38 11.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.678 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.495 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 49.2 mm -60.9 -42.25 91.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.007 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.7 t -61.01 -36.87 80.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.874 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.15 -42.93 75.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.477 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.408 HD11 HG22 ' A' ' 96' ' ' VAL . 43.6 tp -62.79 -45.78 91.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.497 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 81.9 mt -59.91 -36.69 77.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.888 178.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.42 ' HA ' ' OE1' ' A' ' 8' ' ' GLN . 6.9 tp60 -67.26 -40.25 86.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.808 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.46 -33.43 75.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 110.305 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.97 -31.61 71.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.325 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.55 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 4.0 mmt -70.06 -27.17 64.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.52 59.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.858 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -96.69 116.44 66.1 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.968 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.83 117.19 4.3 Favored 'Trans proline' 0 CA--C 1.527 0.171 0 C-N-CA 122.725 2.284 . . . . 0.0 112.932 -176.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.08 39.24 2.17 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.574 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.63 118.06 18.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.865 0.365 . . . . 0.0 110.985 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -113.09 140.71 47.64 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -114.41 120.61 40.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.15 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -126.11 108.9 11.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.05 121.06 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.327 0.584 . . . . 0.0 110.819 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.59 141.24 37.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.652 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -87.55 58.17 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -169.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -112.5 -51.06 2.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.646 171.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -111.39 4.12 18.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.2 tttt 63.11 28.38 16.03 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 122.388 1.09 . . . . 0.0 108.595 -169.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.7 119.42 22.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.357 -175.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.42 ' HB ' ' CG1' ' A' ' 39' ' ' VAL . 28.3 m -85.33 116.4 23.64 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 171.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -103.63 124.49 48.93 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.309 -172.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.1 mt -102.65 121.59 53.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.205 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HB3' HD22 ' A' ' 35' ' ' LEU . 22.6 pttp -154.0 170.34 21.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.377 -173.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.465 HG21 ' HB ' ' A' ' 34' ' ' VAL . 2.0 t -78.94 -137.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 168.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' H ' HG13 ' A' ' 31' ' ' VAL . 3.3 mp0 -53.19 -57.0 11.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.475 0.58 . . . . 0.0 109.741 172.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -152.0 26.42 0.63 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.658 0.742 . . . . 0.0 109.864 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' HB ' HG21 ' A' ' 31' ' ' VAL . 57.3 t -98.29 110.99 26.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.006 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' A' ' 30' ' ' LYS . 64.5 mt -86.32 128.0 34.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.277 0.56 . . . . 0.0 112.295 -175.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.516 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 51.3 p90 -134.11 -10.13 2.61 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.354 174.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.11 158.23 16.5 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -175.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.671 ' HG3' ' HB2' ' A' ' 49' ' ' SER . 10.2 ptp -154.06 147.6 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.692 174.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.42 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 11.4 p -127.36 137.73 56.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.923 0.392 . . . . 0.0 110.423 177.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -138.6 171.66 14.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.649 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -123.77 135.77 54.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.534 HG23 ' HG3' ' A' ' 43' ' ' GLU . 3.7 p -139.07 128.4 30.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.534 ' HG3' HG23 ' A' ' 42' ' ' VAL . 40.3 mt-10 63.05 30.17 16.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.737 -175.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.5 t30 63.59 20.77 12.41 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.85 0.833 . . . . 0.0 110.213 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 45' ' ' ARG . 15.3 mtp180 -119.53 123.46 28.63 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.383 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.537 ' HG2' ' HB2' ' A' ' 83' ' ' LEU . 30.7 Cg_endo -63.99 141.5 77.47 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.75 2.3 . . . . 0.0 112.677 -176.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.12 137.96 36.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.102 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -115.2 147.17 18.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.671 ' HB2' ' HG3' ' A' ' 38' ' ' MET . 17.0 m -139.97 117.92 11.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.976 0.417 . . . . 0.0 110.984 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 95' ' ' LEU . 7.0 mp -98.92 167.03 11.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.71 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HG2' ' H ' ' A' ' 52' ' ' THR . 49.1 tttm -68.42 169.96 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.424 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 2.7 p -71.48 76.53 0.78 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.301 0.572 . . . . 0.0 110.853 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.567 ' HB2' HD23 ' A' ' 56' ' ' LEU . 33.3 m -82.86 147.01 53.72 Favored Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.017 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.14 -53.93 4.72 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.84 2.36 . . . . 0.0 111.963 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.89 -33.25 73.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.49 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.567 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.6 mm? -68.33 -44.99 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.881 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.7 91.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.145 0.498 . . . . 0.0 110.404 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.76 -41.07 90.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.178 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.56 -51.43 59.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.634 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.34 -30.48 70.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.751 0.31 . . . . 0.0 111.562 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.862 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -73.1 -35.87 66.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.136 -179.343 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.62 -49.64 7.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.782 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -100.45 116.52 32.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.265 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -60.82 -34.36 74.42 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.3 m 63.61 -173.11 0.16 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.829 171.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -130.76 83.99 2.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.21 146.57 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.854 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 3.3 mpt_? -115.29 103.3 54.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.708 0.289 . . . . 0.0 111.199 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.71 -179.37 5.08 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.857 2.372 . . . . 0.0 111.065 172.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.0 m 66.28 98.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.421 0.629 . . . . 0.0 111.063 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -144.12 -157.39 0.78 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -63.44 -38.44 91.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.996 0.427 . . . . 0.0 110.421 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.2 mt -81.15 145.79 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -84.96 136.47 33.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.886 0.374 . . . . 0.0 110.662 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.25 -29.89 66.13 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.734 -173.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.23 17.27 0.37 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.52 -61.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 0.0 110.467 175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -136.52 163.97 29.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.64 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 m -125.84 126.72 44.95 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 173.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.412 ' HA ' ' HG ' ' A' ' 49' ' ' SER . 61.0 m -102.28 114.56 28.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.342 -172.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -102.83 116.2 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.603 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -75.43 128.96 36.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.537 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 80.2 mt -79.21 63.21 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 172.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -137.52 -42.24 0.55 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.838 -171.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.21 62.49 4.12 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.435 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.1 t 73.34 -90.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.538 0.735 . . . . 0.0 110.68 -176.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 48.91 80.69 0.28 Allowed Pre-proline 0 N--CA 1.464 0.255 0 C-N-CA 122.853 0.461 . . . . 0.0 112.182 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.591 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 18.7 Cg_endo -60.24 142.29 97.88 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.349 2.033 . . . . 0.0 111.815 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.9 -19.29 65.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.423 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -62.8 -31.12 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.591 ' HG2' ' HG2' ' A' ' 88' ' ' PRO . 15.1 mm100 -72.3 -46.31 56.28 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.096 0.474 . . . . 0.0 109.8 177.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.6 mt -59.03 -39.7 78.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.775 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -54.53 -42.02 70.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.901 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -77.6 -35.74 52.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.963 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 91.1 mt -58.95 -42.4 89.72 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.252 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.408 HG22 HD11 ' A' ' 6' ' ' LEU . 86.3 t -63.18 -43.22 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.13 0.49 . . . . 0.0 110.841 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.63 -39.62 77.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.992 0.425 . . . . 0.0 110.741 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.27 88.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.617 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.516 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 13.3 p -69.32 -34.54 74.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.642 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.09 -41.52 81.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.67 0.272 . . . . 0.0 111.169 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -53.66 55.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.581 -178.052 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -59.99 -33.23 71.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.433 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.476 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -63.78 -42.09 97.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.748 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.46 -36.5 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -68.32 -27.51 66.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.738 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.1 mt -86.68 -8.73 57.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.181 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 95.5 mt -85.79 137.39 35.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.812 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 26.0 Cg_exo -63.84 158.75 45.24 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.8 2.333 . . . . 0.0 111.848 176.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 6.0 tp10 -50.54 -46.66 57.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.684 -176.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -48.62 -50.74 31.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.532 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.97 -44.07 90.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.854 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.463 HH21 ' CD ' ' A' ' 109' ' ' GLU . 20.0 mtm180 -60.37 -40.26 90.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.473 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 11.3 mmpt? -59.96 -46.62 88.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.338 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.71 -46.35 87.52 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.493 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.32 -29.98 70.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.903 -177.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 112' ' ' ARG . 99.1 t -79.1 -36.62 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 111.059 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.88 -28.86 67.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 99.5 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.751 -0.643 . . . . 0.0 110.391 -179.419 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 48.3 ttp . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p -75.58 165.97 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.441 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 50.2 mm -59.66 -35.06 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.763 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.3 t -60.41 -40.37 90.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.384 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.412 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 31.8 mt-10 -69.91 -39.04 76.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.804 HD21 HG23 ' A' ' 96' ' ' VAL . 2.9 tm? -63.54 -45.27 91.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.022 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 84.3 mt -59.83 -40.21 87.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.555 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -63.15 -42.09 99.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.596 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -61.86 -36.21 80.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.1 m -73.3 -17.37 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.178 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.507 ' HE2' ' HA ' ' A' ' 11' ' ' MET . 1.5 mmt -79.92 -10.7 59.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.064 0.459 . . . . 0.0 110.542 178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.514 ' O ' ' HD3' ' A' ' 14' ' ' PRO . . . -87.11 0.85 54.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.307 176.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -103.04 96.79 8.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.417 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.514 ' HD3' ' O ' ' A' ' 12' ' ' ALA . 15.7 Cg_exo -68.28 100.05 0.63 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.7 2.266 . . . . 0.0 111.838 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.56 -20.05 2.4 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.355 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.61 119.03 31.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.723 0.297 . . . . 0.0 110.649 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.01 132.37 52.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.945 0.402 . . . . 0.0 110.182 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG2' HG12 ' A' ' 29' ' ' ILE . 71.6 mt-30 -109.86 122.19 46.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.582 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -128.17 150.42 50.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.341 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.66 123.76 42.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.262 0.554 . . . . 0.0 110.508 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.407 ' ND1' ' HB3' ' A' ' 23' ' ' ASP . 11.7 t-80 -87.06 113.42 22.8 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -76.64 55.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.056 0.931 . . . . 0.0 110.769 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.55 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 27.6 t70 -155.76 101.74 2.16 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.55 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 18.8 m95 78.89 -5.24 2.04 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.396 1.06 . . . . 0.0 110.433 -170.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt 51.74 78.62 0.12 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.69 0.757 . . . . 0.0 110.269 -175.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.524 ' HB3' ' HE1' ' A' ' 38' ' ' MET . . . -127.06 148.0 50.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.517 -177.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.462 ' HB ' ' CG2' ' A' ' 39' ' ' VAL . 23.9 m -93.1 118.44 31.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.0 0.429 . . . . 0.0 110.431 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -95.27 114.63 26.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.759 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.542 HG12 ' HG2' ' A' ' 18' ' ' GLN . 45.4 mt -102.69 108.33 23.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' NZ ' ' HA ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -136.06 150.52 49.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -177.22 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.52 HG13 HD12 ' A' ' 107' ' ' LEU . 1.9 t -79.69 -134.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HG3' ' CG ' ' A' ' 111' ' ' LYS . 20.1 mm-40 -52.43 -67.33 0.26 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.168 0.509 . . . . 0.0 110.49 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.546 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 24.0 t0 -147.65 36.13 0.87 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.764 0.793 . . . . 0.0 110.279 176.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.9 t -116.87 99.16 7.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.624 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.8 tp -84.34 97.86 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -96.47 -24.89 15.88 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.851 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.77 123.39 12.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.248 0.547 . . . . 0.0 111.878 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.524 ' HE1' ' HB3' ' A' ' 26' ' ' ALA . 13.6 ttt -125.82 114.68 18.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.46 173.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.462 ' CG2' ' HB ' ' A' ' 27' ' ' THR . 27.4 m -97.09 142.5 14.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.598 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.16 104.16 2.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.013 0.435 . . . . 0.0 110.816 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.529 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 2.4 mp0 -92.13 117.62 30.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.473 0.654 . . . . 0.0 111.257 -177.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 2.7 p -96.9 110.31 24.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.516 176.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 61.04 26.63 16.56 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 -177.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.6 t30 75.42 22.4 1.66 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.467 0.707 . . . . 0.0 110.698 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -85.56 107.56 12.9 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 167.072 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.748 ' HB2' ' HG ' ' A' ' 83' ' ' LEU . 24.6 Cg_exo -62.81 124.73 14.59 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.036 2.49 . . . . 0.0 112.401 -174.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.93 121.04 10.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.321 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.77 125.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.282 0.563 . . . . 0.0 110.43 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.9 m -100.94 115.57 30.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.653 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' C ' ' H ' ' A' ' 52' ' ' THR . 8.3 mp -98.68 155.77 17.16 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -80.47 36.57 0.37 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.686 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.41 ' H ' ' C ' ' A' ' 50' ' ' LEU . 47.5 m 67.49 106.01 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.408 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.8 ' HB2' HD23 ' A' ' 56' ' ' LEU . 14.7 m -126.61 147.49 60.85 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.195 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.09 -64.94 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.535 2.823 . . . . 0.0 113.923 -174.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.92 -30.09 61.1 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -63.53 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.798 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.54 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -73.17 -42.46 62.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 1.6 mp0 -61.89 -43.24 99.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.582 176.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.6 -51.04 68.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.853 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.708 ' HB2' HG12 ' A' ' 67' ' ' VAL . 3.6 pp -67.25 -31.15 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.86 -176.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 3.0 mpt_? -61.68 -38.29 87.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.068 177.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 58' ' ' GLU . 29.4 mm-40 -89.73 -45.99 8.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 -175.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.52 -51.63 54.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -174.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 62.41 -159.71 0.31 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -173.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t 70.12 -81.73 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 170.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.496 ' HB3' ' HB3' ' A' ' 86' ' ' SER . 2.7 t70 -92.85 -8.32 43.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.664 0.268 . . . . 0.0 111.678 -167.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.708 HG12 ' HB2' ' A' ' 60' ' ' LEU . 41.4 t -82.07 129.75 36.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.241 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.471 HH22 ' HB3' ' A' ' 84' ' ' ASP . 1.0 OUTLIER -153.83 91.73 3.19 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.211 -172.78 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -64.89 104.18 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.753 2.302 . . . . 0.0 111.129 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.0 m -119.01 168.83 10.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.15 -171.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -71.33 82.93 0.77 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.909 0.861 . . . . 0.0 110.999 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.527 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 23.6 p80 -90.15 -29.03 18.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.9 175.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 72' ' ' HIS . 56.6 mt -165.78 -55.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -143.67 150.12 38.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.353 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -71.04 -61.34 1.8 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.148 0.28 . . . . 0.0 111.361 -177.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 77' ' ' HIS . . . -113.84 93.73 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 76' ' ' ALA . 5.5 t-80 175.69 -48.41 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 172.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.476 ' HB2' ' HE1' ' A' ' 72' ' ' HIS . 96.7 m95 -112.64 145.06 41.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.096 -0.957 . . . . 0.0 108.764 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.6 t -125.01 132.97 53.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.4 m -122.89 119.92 31.92 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.647 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' O ' HD21 ' A' ' 83' ' ' LEU . 49.0 t -90.99 104.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.8 176.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -79.08 93.54 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.748 ' HG ' ' HB2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -79.08 82.75 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.658 0.742 . . . . 0.0 111.585 -174.632 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.471 ' HB3' HH22 ' A' ' 68' ' ' ARG . 11.3 t70 -89.52 -34.86 16.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.506 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.46 32.02 0.17 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.162 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.882 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -88.95 -64.55 1.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.626 -175.35 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.882 HD22 ' HB2' ' A' ' 86' ' ' SER . 2.3 mm? -111.97 138.65 21.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.856 -176.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 5.7 Cg_exo -78.66 174.32 12.45 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.027 2.484 . . . . 0.0 112.394 175.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.64 -55.74 12.61 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.34 0.656 . . . . 0.0 111.863 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.9 m -58.7 -34.13 70.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.467 -174.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.53 ' HG2' HD11 ' A' ' 87' ' ' LEU . 22.9 tp60 -70.08 -32.82 71.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.405 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 88' ' ' PRO . 56.8 mt -67.2 -42.45 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.885 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -57.57 -40.94 80.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.308 0.575 . . . . 0.0 110.061 177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.05 -41.99 94.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.931 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 92.6 mt -68.61 -44.3 74.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.481 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.804 HG23 HD21 ' A' ' 6' ' ' LEU . 93.1 t -66.24 -41.79 89.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 111.06 -178.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -37.26 79.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.6 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.68 77.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.242 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.424 ' HA ' ' NE2' ' A' ' 102' ' ' GLN . 6.5 p -64.97 -31.57 72.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.972 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.497 ' O ' HG21 ' A' ' 104' ' ' VAL . 83.5 t80 -73.63 -43.4 59.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.274 175.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -45.0 93.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.897 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 99' ' ' SER . 29.7 pt20 -61.42 -31.64 71.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.773 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.437 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -74.95 -28.83 60.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.812 0.339 . . . . 0.0 111.334 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 115' ' ' LEU . 93.9 t -70.02 -42.0 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.794 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -73.97 -16.16 61.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 111.076 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 93.0 mt -87.35 -5.97 58.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.98 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.52 HD12 HG13 ' A' ' 31' ' ' VAL . 92.6 mt -83.97 139.22 39.87 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 0.0 111.146 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.489 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 20.4 Cg_exo -66.58 -179.31 1.53 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.186 2.591 . . . . 0.0 113.112 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 12.5 tp10 -54.12 -57.65 10.32 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.773 -174.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -52.41 -47.76 66.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.364 0.602 . . . . 0.0 111.635 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.522 ' CG ' ' HG3' ' A' ' 32' ' ' GLU . 3.9 mptp? -62.65 -43.52 98.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.709 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.468 ' O ' HG22 ' A' ' 116' ' ' VAL . 40.5 mtt180 -62.98 -27.79 69.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.288 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.628 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 7.5 mmpt? -61.34 -50.03 74.56 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.148 0.499 . . . . 0.0 110.024 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.46 -42.4 96.11 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.483 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 104' ' ' VAL . 98.4 mt -62.03 -26.62 68.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.682 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 112' ' ' ARG . 66.8 t -83.11 -36.87 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.895 0.378 . . . . 0.0 110.26 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -62.65 -44.21 96.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.256 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.014 -177.405 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p -96.25 130.11 43.41 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.242 0.544 . . . . 0.0 111.313 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.555 HG13 ' HB3' ' A' ' 46' ' ' PRO . 44.4 mm -70.68 -22.12 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.868 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.6 m -51.65 -47.8 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.022 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.96 -35.4 50.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.342 . . . . 0.0 110.81 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.89 -43.47 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.189 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -62.8 -45.99 90.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.288 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.8 -37.32 83.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.244 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -63.94 -32.63 74.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.853 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.3 m -68.73 -26.88 65.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.446 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.9 mtp -80.1 -10.06 59.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.572 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.15 -0.88 57.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.399 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -90.38 117.3 67.91 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.85 113.18 1.88 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.884 2.389 . . . . 0.0 113.275 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.39 -10.07 17.12 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.54 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.69 127.12 39.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.078 0.466 . . . . 0.0 111.542 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -124.3 156.13 37.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -89.96 120.97 31.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.764 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -112.19 104.67 12.88 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -91.98 125.34 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.281 0.562 . . . . 0.0 110.98 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.29 111.11 22.45 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -77.77 79.01 4.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.343 0.592 . . . . 0.0 111.772 -171.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' HB2' ' HD1' ' A' ' 24' ' ' TRP . 10.0 m-20 -136.88 -69.11 0.47 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 171.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.41 ' HD1' ' HB2' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -119.27 21.05 12.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.126 171.314 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 62.19 40.3 11.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.527 -1.215 . . . . 0.0 112.547 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.62 120.93 14.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 171.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.3 m -100.68 117.57 35.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.135 0.493 . . . . 0.0 111.038 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -94.08 121.95 36.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.4 mt -97.6 107.98 20.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.689 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 20.3 pttp -153.63 168.43 26.24 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.526 -174.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.48 HG21 HD21 ' A' ' 107' ' ' LEU . 27.5 m -88.96 -146.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.544 176.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -49.21 -51.94 29.91 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -154.23 18.4 0.49 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.141 0.496 . . . . 0.0 111.379 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.464 ' HB ' HG22 ' A' ' 31' ' ' VAL . 54.2 t -108.26 106.55 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.836 0.351 . . . . 0.0 110.447 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.689 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 59.0 tp -94.83 121.08 36.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.512 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.49 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 46.5 p90 -110.83 -29.27 8.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.494 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.6 144.08 19.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.341 . . . . 0.0 111.123 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -140.27 136.19 33.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.635 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -102.36 134.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.004 0.431 . . . . 0.0 110.721 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.519 ' HB2' ' NZ ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -150.17 119.76 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -178.561 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.522 ' OE2' ' HA ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -83.08 114.47 21.32 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.299 0.571 . . . . 0.0 111.127 -179.402 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.8 p -117.5 143.43 28.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 42' ' ' VAL . 51.4 mt-10 66.27 15.52 10.12 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -171.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.9 t30 67.6 11.49 8.4 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.167 -172.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.476 ' HD2' ' OD1' ' A' ' 84' ' ' ASP . 48.1 mtm180 -106.8 133.54 20.22 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.929 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.608 ' HB2' ' HB2' ' A' ' 83' ' ' LEU . 48.1 Cg_exo -57.15 134.52 64.74 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.806 2.337 . . . . 0.0 112.621 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.94 127.56 9.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.453 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.93 136.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 -175.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 79' ' ' SER . 9.6 t -111.13 115.83 30.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.933 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 99' ' ' SER . 6.7 mp -99.0 155.96 17.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.635 178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -78.42 167.73 20.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -43.01 111.77 0.3 Allowed 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.629 0.58 . . . . 0.0 112.073 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.634 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . 39.3 t -129.66 139.04 34.49 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.074 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 76.9 Cg_exo -50.28 -63.92 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.091 2.528 . . . . 0.0 112.851 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.74 -34.32 78.04 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.634 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 4.4 mm? -65.76 -41.55 91.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.692 0.282 . . . . 0.0 110.57 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.57 68.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.394 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 54' ' ' PRO . 26.0 mm-40 -61.14 -41.36 96.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.066 177.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.2 tp -52.75 -37.65 59.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.896 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.8 tp -71.15 -34.01 70.6 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.541 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 61' ' ' ARG . 4.6 mpt_? -75.58 -49.56 18.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.917 0.389 . . . . 0.0 110.999 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.55 -51.63 11.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.958 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -108.0 154.57 21.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.991 0.424 . . . . 0.0 110.299 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -139.62 158.49 44.03 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.796 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 m 62.77 -163.87 0.26 Allowed 'General case' 0 CA--C 1.535 0.404 0 O-C-N 123.689 0.618 . . . . 0.0 111.796 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t70 72.45 -81.3 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.455 0.702 . . . . 0.0 111.949 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.017 0.437 . . . . 0.0 110.115 179.666 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -94.95 -28.09 15.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.33 -66.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.323 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.569 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 39.6 t-20 -166.06 120.26 1.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -86.3 -26.87 24.7 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -169.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.9 -30.44 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.807 -176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -93.51 -21.85 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.01 0.434 . . . . 0.0 110.776 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.569 ' HD1' ' HB3' ' A' ' 74' ' ' ASN . 86.7 m95 -131.2 168.66 17.11 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 49' ' ' SER . 14.5 m -136.87 125.76 24.18 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.9 m -106.5 114.55 28.73 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.168 0.509 . . . . 0.0 110.733 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.3 t -98.13 115.01 37.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.8 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -72.01 99.6 2.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.939 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . 89.1 mt -69.0 -40.0 79.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.61 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.476 ' OD1' ' HD2' ' A' ' 45' ' ' ARG . 15.9 t70 68.42 -57.26 0.49 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.095 0.872 . . . . 0.0 112.983 171.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.17 -33.95 2.38 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.9 t -85.73 -3.44 58.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.61 -0.295 . . . . 0.0 111.341 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.82 136.56 54.74 Favored Pre-proline 0 C--O 1.238 0.463 0 CA-C-O 120.732 0.301 . . . . 0.0 110.479 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.65 142.19 63.22 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.989 2.459 . . . . 0.0 112.675 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 6.7 p-10 -65.19 -30.18 71.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.852 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -51.12 -48.38 61.77 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.652 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 36.2 tt0 -73.27 -40.38 64.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.939 -177.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 96' ' ' VAL . 63.3 mt -61.6 -45.09 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.022 -174.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.443 ' CE2' ' HB2' ' A' ' 89' ' ' ASP . 29.7 m-85 -58.41 -41.21 84.47 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.944 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.02 -37.92 87.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.729 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 93.9 mt -65.25 -39.23 92.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 92' ' ' ILE . 99.1 t -60.72 -52.41 61.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.788 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.479 ' HA ' ' HB3' ' A' ' 100' ' ' TYR . 2.1 m-20 -66.76 -28.98 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.54 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -59.42 -50.58 73.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 0.0 110.503 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.548 ' HB3' HD23 ' A' ' 50' ' ' LEU . 5.3 p -71.56 -34.49 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.479 ' HB3' ' HA ' ' A' ' 97' ' ' ASP . 39.8 t80 -63.8 -43.2 97.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.731 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -44.59 90.59 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 22.6 mt-30 -58.36 -44.4 88.8 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.56 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -57.18 -44.66 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.81 -38.66 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -68.81 -29.52 67.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 98.7 mt -84.46 -5.23 59.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.594 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 87.9 mt -86.71 137.88 33.65 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.659 0.266 . . . . 0.0 110.789 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.499 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 26.4 Cg_exo -64.03 175.02 3.42 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.94 2.427 . . . . 0.0 112.173 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 8.2 tp10 -54.85 -51.49 65.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.102 -175.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -48.8 -49.47 38.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.749 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.499 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 4.3 mptp? -69.34 -47.14 65.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.358 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.2 mtp180 -59.76 -41.39 90.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.696 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 75.8 mmtt -56.65 -34.31 67.2 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.739 0.304 . . . . 0.0 111.36 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.41 -47.65 59.81 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.24 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.85 -26.9 67.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.678 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 112' ' ' ARG . 92.3 t -66.16 -28.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.169 0.509 . . . . 0.0 110.821 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.468 ' HA ' ' OE1' ' A' ' 117' ' ' GLN . 11.3 mm-40 -75.35 -28.9 59.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.543 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.814 -0.613 . . . . 0.0 111.209 -175.638 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.498 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 58.0 ttp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.906 0.384 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.38 -176.51 3.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.809 177.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.508 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 82.2 mt -57.51 -44.84 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -173.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -62.91 -42.49 99.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.519 0.199 . . . . 0.0 111.239 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.498 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 2.1 mp0 -66.27 -36.77 83.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.55 HD11 HG21 ' A' ' 96' ' ' VAL . 43.2 tp -63.59 -45.09 91.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.031 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 87.8 mt -61.66 -42.96 99.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.316 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.66 -45.16 92.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.48 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.41 -42.42 99.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.865 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.9 m -71.11 -13.61 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.353 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.514 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 3.8 mmt -85.17 -36.97 20.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 110.058 175.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' HD3' ' A' ' 14' ' ' PRO . . . -75.26 -11.27 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.092 175.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -99.41 101.31 12.68 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.759 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 12' ' ' ALA . 37.7 Cg_exo -60.39 156.84 38.87 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.244 2.629 . . . . 0.0 113.087 -174.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.35 -36.04 3.94 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.851 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.27 126.4 32.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.241 0.543 . . . . 0.0 110.896 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -119.77 138.76 53.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.159 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -106.03 125.45 51.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -175.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 m -115.27 118.92 34.63 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.065 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -138.08 135.37 45.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.408 0.623 . . . . 0.0 111.671 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -114.78 128.78 56.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.712 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -79.95 67.83 5.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.638 0.732 . . . . 0.0 110.648 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -105.34 -69.05 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -117.01 -4.39 11.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 166.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt 70.6 96.93 0.07 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.767 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . . . -127.69 101.35 6.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.748 172.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.558 ' HB ' HG23 ' A' ' 39' ' ' VAL . 20.8 m -81.18 116.95 21.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 110.285 -175.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -99.28 121.14 40.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.467 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mt -99.58 111.43 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -132.84 169.51 16.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.809 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG12 ' OE1' ' A' ' 32' ' ' GLU . 1.9 t -83.75 -135.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 170.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -54.43 -62.54 1.59 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.051 0.453 . . . . 0.0 110.098 172.716 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -137.94 3.61 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.573 0.701 . . . . 0.0 110.219 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.7 t -86.74 101.71 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.738 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.5 tp -84.76 123.23 30.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.86 176.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -112.3 -33.93 6.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.712 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.72 156.33 27.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.275 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -146.85 141.83 27.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.959 0.409 . . . . 0.0 111.24 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.558 HG23 ' HB ' ' A' ' 27' ' ' THR . 4.1 m -99.28 109.9 25.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.872 175.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 26' ' ' ALA . 33.1 pttt -103.5 123.74 47.45 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.087 -175.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.53 110.64 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 p -122.96 113.6 38.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.696 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 62.85 27.19 15.92 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t30 69.35 -0.69 2.45 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.602 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -95.13 133.68 25.82 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.915 0.388 . . . . 0.0 110.239 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' ' 83' ' ' LEU . 38.2 Cg_endo -66.4 117.07 4.42 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.179 2.586 . . . . 0.0 113.685 -173.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 40' ' ' LYS . . . -125.63 128.66 48.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.543 172.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.682 HG11 HD13 ' A' ' 95' ' ' LEU . 13.4 p -115.57 147.47 18.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.929 0.395 . . . . 0.0 110.498 -176.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' A' ' 79' ' ' SER . 71.1 m -128.29 124.88 37.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 50' ' ' LEU . 5.0 mp -106.27 146.66 30.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.597 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -59.33 -49.23 78.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.924 0.392 . . . . 0.0 110.442 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.3 t -173.9 143.01 0.92 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.281 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.638 ' HB2' ' HB2' ' A' ' 56' ' ' LEU . 54.3 m -157.29 135.47 7.43 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.981 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.47 -57.48 0.87 Allowed 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.921 2.414 . . . . 0.0 113.21 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.63 -34.57 75.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.543 0.211 . . . . 0.0 110.998 -176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -63.77 -39.86 95.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.698 0.285 . . . . 0.0 110.679 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.526 ' O ' ' HD2' ' A' ' 61' ' ' ARG . . . -68.47 -37.3 80.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.226 176.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.79 -42.27 99.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.421 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -52.85 -34.84 56.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.127 ' HA ' HG11 ' A' ' 67' ' ' VAL . 4.2 tt -64.11 -42.9 96.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.313 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.526 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 1.7 mpt_? -75.6 -36.59 60.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.833 0.349 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -77.39 -63.29 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.447 ' O ' HG12 ' A' ' 67' ' ' VAL . 12.0 mm100 -118.98 105.74 11.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.564 0.221 . . . . 0.0 111.466 -171.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -79.77 8.15 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.4 m -110.77 -20.87 12.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.059 0.457 . . . . 0.0 110.901 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.86 -24.9 24.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.055 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 1.127 HG11 ' HA ' ' A' ' 60' ' ' LEU . 14.7 p . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.264 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.854 0.359 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -67.1 -19.31 65.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.25 0.548 . . . . 0.0 109.6 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.1 mt -140.81 -63.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.628 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -156.36 123.99 5.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -85.32 -28.68 25.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.178 -172.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.96 -36.08 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -169.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -88.07 -27.99 21.62 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.19 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -106.03 164.53 11.9 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.615 ' O ' ' HA ' ' A' ' 49' ' ' SER . 14.8 m -125.44 126.83 45.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.031 0.443 . . . . 0.0 109.991 177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -109.26 114.97 29.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.401 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.453 ' HB ' ' CG1' ' A' ' 48' ' ' VAL . 60.8 t -103.88 115.95 46.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.031 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -86.35 113.46 22.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.116 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.65 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 82.0 mt -81.16 70.22 7.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.793 0.806 . . . . 0.0 109.257 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -145.06 96.7 2.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.463 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.83 -53.51 4.69 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.137 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.3 m -81.97 140.53 33.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.425 0.155 . . . . 0.0 111.314 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.452 HD22 ' HG3' ' A' ' 91' ' ' GLN . 80.0 mt 71.05 128.93 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.371 0 O-C-N 124.122 0.889 . . . . 0.0 112.521 176.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -83.9 -177.86 3.29 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.046 2.498 . . . . 0.0 112.6 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -58.96 -37.92 77.89 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.169 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -53.92 -40.76 67.0 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.726 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.625 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 27.0 mm-40 -67.31 -35.83 80.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.489 ' HA ' HD12 ' A' ' 95' ' ' LEU . 36.6 mt -62.67 -39.38 84.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 -177.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -60.33 -46.2 90.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.095 0.474 . . . . 0.0 110.091 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -68.56 -33.21 73.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.031 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.682 HD13 HG11 ' A' ' 48' ' ' VAL . 96.3 mt -54.48 -47.8 72.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.137 0.494 . . . . 0.0 110.902 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.55 HG21 HD11 ' A' ' 6' ' ' LEU . 89.5 t -75.92 -44.39 38.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.695 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -60.73 -52.61 64.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.671 -175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.85 95.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.745 0.307 . . . . 0.0 111.244 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.4 m -63.67 -45.01 92.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 104' ' ' VAL . 76.3 t80 -64.79 -44.35 90.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.576 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -61.96 -49.5 75.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.473 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 4.2 pt20 -63.1 -32.72 74.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.054 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -67.35 -38.51 84.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.45 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 100' ' ' TYR . 97.5 t -66.18 -35.86 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.84 -24.08 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.853 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 94.8 mt -87.69 -7.61 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.788 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 92.4 mt -82.43 149.91 62.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.644 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.41 163.75 22.71 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.966 2.444 . . . . 0.0 112.381 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 5.0 tp10 -52.53 -47.73 66.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.944 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.571 ' HA ' ' HE2' ' A' ' 113' ' ' LYS . 34.3 tt0 -51.63 -50.31 60.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.017 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.7 -44.21 82.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.547 -174.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 116' ' ' VAL . 30.0 mtm180 -62.89 -41.13 99.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.256 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 110' ' ' GLU . 46.8 mtmt -61.37 -33.61 73.94 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.782 0.325 . . . . 0.0 110.993 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 71.4 mt -71.59 -42.39 67.8 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.778 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.423 HD23 HD12 ' A' ' 118' ' ' LEU . 98.6 mt -62.13 -28.5 69.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.584 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 112' ' ' ARG . 85.7 t -70.05 -35.3 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 0.0 110.692 177.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -75.19 -28.52 60.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.478 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 92.3 mt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.205 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.589 ' HB2' ' HB2' ' A' ' 89' ' ' ASP . 3.7 tmm? . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.42 159.93 14.99 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.138 -175.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.47 HD11 HD12 ' A' ' 83' ' ' LEU . 48.8 mm -54.86 -40.89 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.32 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -35.49 73.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.179 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -77.2 -36.3 54.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.016 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.401 HD21 HG21 ' A' ' 96' ' ' VAL . 3.0 tm? -61.91 -41.1 97.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.582 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 91.1 mt -59.42 -39.18 82.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.951 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -73.01 -38.65 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.461 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -58.83 -37.35 76.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.073 0.464 . . . . 0.0 110.983 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.5 m -68.49 -18.9 64.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.315 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.2 mmt -77.86 -5.82 52.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.984 0.421 . . . . 0.0 110.816 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.18 -10.03 37.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.188 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 75.6 mmtt -95.88 122.12 59.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.018 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 28.1 Cg_exo -62.07 128.1 23.12 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.463 2.109 . . . . 0.0 112.378 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.83 -18.34 56.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.999 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.92 119.66 25.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 110.899 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -131.55 145.89 51.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.186 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -90.75 122.17 33.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.187 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -136.49 137.54 40.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.83 109.34 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.846 0.831 . . . . 0.0 109.808 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -101.08 133.83 45.0 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.898 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -52.19 114.51 1.36 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.795 0.684 . . . . 0.0 110.138 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -168.44 -103.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.216 -170.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.595 ' HZ2' ' HB3' ' A' ' 72' ' ' HIS . 34.0 m0 -116.66 21.09 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 170.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 58.09 82.93 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.164 -163.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -133.64 148.52 51.53 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.279 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.3 m -79.63 116.6 19.92 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.15 0.5 . . . . 0.0 109.868 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.527 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 79.6 mt-30 -117.72 114.02 22.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.947 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.8 mt -93.07 108.32 20.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.297 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.59 154.11 51.13 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.579 -172.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.557 HG12 ' H ' ' A' ' 32' ' ' GLU . 6.2 t -86.13 174.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 169.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.618 ' HG3' ' HD3' ' A' ' 111' ' ' LYS . 10.7 mm-40 -26.78 -52.52 0.06 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -134.67 3.58 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.279 0.562 . . . . 0.0 110.92 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -108.63 101.01 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.449 . . . . 0.0 111.728 -171.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.433 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 69.0 tp -87.84 102.17 14.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -100.75 -18.64 16.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.522 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.22 118.53 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.313 0.577 . . . . 0.0 111.173 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.527 ' HB2' ' HG2' ' A' ' 28' ' ' GLN . 24.2 ptm -128.79 131.9 47.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.985 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.554 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 12.3 p -104.83 127.55 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.309 0.576 . . . . 0.0 110.133 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.79 ' HE2' HD11 ' A' ' 73' ' ' LEU . 25.3 mtpp -127.17 111.03 13.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.695 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' OE2' ' HA ' ' A' ' 44' ' ' ASN . 32.0 tt0 -78.68 111.88 15.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 p -108.95 111.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.55 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 61.52 36.76 16.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.687 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.496 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 2.4 t-20 73.35 13.69 4.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.375 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 45' ' ' ARG . 51.7 mtt180 -102.72 126.7 32.02 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.556 173.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -72.18 110.98 3.08 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.506 2.138 . . . . 0.0 112.226 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.39 135.18 54.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.259 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -116.69 138.52 47.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.413 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t -120.19 132.06 55.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.916 0.388 . . . . 0.0 110.261 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.005 ' HB2' HD11 ' A' ' 56' ' ' LEU . 8.7 mp -113.64 172.8 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.431 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 35' ' ' LEU . 67.4 mttm -74.56 167.13 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 170.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.9 m -67.15 97.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.109 0.481 . . . . 0.0 109.787 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.0 m -116.56 151.24 46.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.909 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 37.9 Cg_exo -57.57 -37.17 97.91 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.686 2.257 . . . . 0.0 112.03 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -63.89 -42.76 97.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.785 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.005 HD11 ' HB2' ' A' ' 50' ' ' LEU . 12.9 mt -64.25 -36.78 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.026 175.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -62.27 -35.56 79.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.93 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 38.7 mt-10 -55.89 -54.31 46.2 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.965 0.412 . . . . 0.0 110.476 177.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.6 mp -56.4 -40.32 74.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.758 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.9 tp -68.49 -31.88 71.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.529 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 57' ' ' ALA . 37.8 mmt180 -74.75 -33.82 62.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.043 0.449 . . . . 0.0 110.689 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -86.65 -33.21 20.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.489 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 62.19 24.76 14.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.859 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -101.23 19.69 17.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.701 0.763 . . . . 0.0 109.512 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.689 ' HB3' HD21 ' A' ' 87' ' ' LEU . 34.7 m -150.15 159.32 44.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.525 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -82.98 119.42 24.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.94 0.4 . . . . 0.0 110.897 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.414 177.276 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.62 ' NE ' ' HA ' ' A' ' 71' ' ' ARG . 4.7 mmp_? . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 121.025 0.44 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.595 ' HB3' ' HZ2' ' A' ' 24' ' ' TRP . 46.8 t-80 -95.41 -15.47 22.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.255 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.79 HD11 ' HE2' ' A' ' 40' ' ' LYS . 5.7 mp -61.4 -73.73 0.09 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 -175.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -160.43 167.97 26.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -80.44 -27.68 37.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.856 0.36 . . . . 0.0 110.686 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.5 177.59 7.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 75.17 -48.91 0.64 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.554 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -86.99 134.06 33.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.752 0.311 . . . . 0.0 110.286 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.616 ' HB2' HD13 ' A' ' 56' ' ' LEU . 15.4 m -125.64 126.37 44.61 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.6 m -111.68 129.47 56.09 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.3 -172.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.5 t -111.4 128.91 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.842 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -91.8 115.71 28.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.941 0.4 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 3' ' ' ILE . 89.4 mt -81.31 77.85 8.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.556 0.693 . . . . 0.0 110.751 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -127.08 -29.7 2.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.827 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.44 -160.65 19.38 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.479 ' OG ' ' HA ' ' A' ' 65' ' ' SER . 23.2 t 72.03 -66.57 0.3 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.376 0.67 . . . . 0.0 111.443 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 65' ' ' SER . 2.8 mm? -95.83 124.14 53.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.542 0.211 . . . . 0.0 110.883 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.494 ' HD2' ' HG3' ' A' ' 91' ' ' GLN . 63.2 Cg_endo -75.72 -178.31 4.22 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.606 2.204 . . . . 0.0 112.363 174.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.589 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 8.9 p-10 -59.43 -36.26 75.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.266 -175.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -67.7 -38.31 83.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.81 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.494 ' HG3' ' HD2' ' A' ' 88' ' ' PRO . 15.9 mm100 -65.46 -31.94 73.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.369 -177.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.58 -44.97 94.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.635 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -63.71 -36.3 83.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -59.35 -42.18 90.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.072 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.09 -43.28 58.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.16 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.401 HG21 HD21 ' A' ' 6' ' ' LEU . 85.6 t -63.27 -47.64 91.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.378 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -65.63 -38.82 90.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.023 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.44 98.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t -67.45 -32.09 72.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.154 0.502 . . . . 0.0 110.116 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.418 ' O ' HG23 ' A' ' 104' ' ' VAL . 69.2 t80 -70.13 -41.79 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.428 176.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -60.7 -49.14 78.7 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.577 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' A' ' 103' ' ' ALA . 1.6 pt20 -63.03 -40.11 96.75 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.492 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -57.94 -45.51 86.49 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.312 -178.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 100' ' ' TYR . 98.8 t -63.81 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -77.09 -16.13 59.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.587 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 86.0 mt -93.49 -4.9 50.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.699 0.285 . . . . 0.0 111.022 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 84.2 mt -75.82 152.63 84.91 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.894 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.39 154.35 64.5 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.282 1.988 . . . . 0.0 110.633 171.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.31 -45.21 68.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.378 0.424 . . . . 0.0 111.818 -172.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 1.9 tm-20 -55.5 -47.25 76.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.618 ' HD3' ' HG3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -72.37 -42.89 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.599 . . . . 0.0 110.428 -178.642 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.8 tmm_? -60.34 -47.74 84.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.867 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 113' ' ' LYS . 66.9 mmtt -63.67 -31.28 72.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.924 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 54.2 mt -59.43 -48.93 79.74 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.745 0.307 . . . . 0.0 110.81 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 mt -69.99 -26.78 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.262 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.9 t -76.16 -38.44 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.218 0.532 . . . . 0.0 110.838 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -71.79 -27.74 63.15 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.003 -178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 90.9 mt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.078 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.573 ' HB3' ' HB2' ' A' ' 89' ' ' ASP . 5.6 tmm? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -122.56 171.95 8.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.639 -169.447 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' A' ' 6' ' ' LEU . 49.9 mm -53.13 -35.48 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 123.487 0.715 . . . . 0.0 112.659 -174.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 p -56.29 -39.92 73.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.102 0.477 . . . . 0.0 110.8 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.534 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 36.3 mt-10 -78.21 -31.47 49.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.359 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 1.5 mm? -61.03 -35.75 77.71 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.279 178.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.3 tm? -54.87 -50.52 68.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.46 . . . . 0.0 109.924 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -67.45 -36.96 82.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.747 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -64.68 -36.37 84.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.98 -33.37 73.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.037 0.446 . . . . 0.0 110.469 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.452 ' CE ' ' HG3' ' A' ' 18' ' ' GLN . 28.0 mmt -80.14 -1.34 39.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -2.65 58.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.201 0.524 . . . . 0.0 109.875 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.59 103.63 33.31 Favored Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.479 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.9 119.08 6.0 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.857 2.371 . . . . 0.0 112.839 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.402 ' HA3' HD22 ' A' ' 115' ' ' LEU . . . 116.52 -25.62 9.02 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.989 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.48 123.67 32.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.775 0.321 . . . . 0.0 110.331 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -115.15 124.36 51.3 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.499 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 4.2 pp0? -96.43 155.72 16.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.367 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -153.9 104.69 2.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.364 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.575 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.6 p -79.23 112.35 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.483 0.658 . . . . 0.0 110.127 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -86.94 125.69 34.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.773 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -79.67 16.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.507 0.67 . . . . 0.0 110.577 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.24 -55.61 11.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.731 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.419 ' HH2' ' HE3' ' A' ' 40' ' ' LYS . 8.0 p-90 -140.06 16.53 2.45 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.138 176.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 61.91 84.08 0.14 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.995 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.14 136.36 17.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.285 -1.325 . . . . 0.0 108.907 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 27.3 m -99.71 117.53 34.25 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.224 0.535 . . . . 0.0 110.828 -177.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -88.04 112.88 23.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.739 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.448 HG12 ' HB3' ' A' ' 18' ' ' GLN . 39.8 mt -107.42 108.37 25.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.0 0.428 . . . . 0.0 109.851 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -141.29 169.44 17.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.729 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 32' ' ' GLU . 1.9 t -86.79 -141.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 172.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' H ' HG12 ' A' ' 31' ' ' VAL . 39.7 mt-10 -67.21 -49.8 63.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.09 -0.381 . . . . 0.0 110.678 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -142.01 16.14 2.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.548 0.69 . . . . 0.0 110.436 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.3 t -113.22 108.95 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.836 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.0 tp -93.93 114.15 26.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.962 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -106.04 -32.14 8.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.52 155.18 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.066 0.46 . . . . 0.0 111.314 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 38' ' ' MET . 14.0 ptp -138.79 119.74 14.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.329 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.503 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 14.9 p -87.14 137.19 21.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HE3' ' HH2' ' A' ' 24' ' ' TRP . 10.5 ptmt -153.92 136.37 15.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.847 0.356 . . . . 0.0 111.745 -166.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -93.03 110.48 21.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -126.19 135.89 62.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.864 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 60.53 25.04 14.69 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -169.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.9 t30 61.3 23.67 13.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.452 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HB2' ' HE1' ' A' ' 82' ' ' TYR . 19.9 mmt180 -114.09 134.67 22.14 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.77 177.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -70.02 121.19 7.83 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.238 1.959 . . . . 0.0 111.896 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.69 169.88 16.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.162 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.48 134.58 30.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.956 0.408 . . . . 0.0 110.57 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 79' ' ' SER . 50.2 m -106.32 120.11 41.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.107 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD22 ' HG ' ' A' ' 56' ' ' LEU . 5.9 mp -98.55 145.95 26.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.861 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -95.26 -17.94 21.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.917 0.389 . . . . 0.0 110.185 178.07 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.611 HG22 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -126.58 -160.15 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.252 -176.702 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.611 ' H ' HG22 ' A' ' 52' ' ' THR . 37.3 t 75.66 113.4 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.253 0 C-N-CA 123.879 0.871 . . . . 0.0 111.543 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.08 -21.59 13.76 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.892 2.395 . . . . 0.0 111.928 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -75.21 -36.15 61.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.484 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HG ' HD22 ' A' ' 50' ' ' LEU . 3.9 mm? -62.9 -35.92 81.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.873 0.368 . . . . 0.0 110.331 175.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.679 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -62.32 -39.6 93.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.508 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.49 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.98 -31.57 71.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.458 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.6 tp -72.89 -40.58 65.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.427 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.679 ' HG2' ' O ' ' A' ' 57' ' ' ALA . 31.9 mmt180 -73.8 -50.61 19.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.772 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.65 -55.32 5.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.187 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.518 ' O ' HG12 ' A' ' 67' ' ' VAL . 19.2 mm-40 -93.15 54.42 2.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.053 0.454 . . . . 0.0 110.655 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -77.21 44.33 0.41 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.242 -174.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 t -165.37 -39.27 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' A' ' 63' ' ' GLN . 27.1 t70 -65.35 -46.89 78.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.201 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 63' ' ' GLN . 11.1 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.902 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HD3' HH11 ' A' ' 71' ' ' ARG . 18.2 ttm180 . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -72.63 -19.59 61.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.267 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.9 mt -121.88 -177.42 3.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.854 0.359 . . . . 0.0 110.927 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 77' ' ' HIS . 9.6 m120 -72.31 102.42 3.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.647 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -67.74 -24.28 65.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.988 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.96 40.03 1.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.022 0.439 . . . . 0.0 110.722 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 74' ' ' ASN . 1.3 t-80 -152.12 -38.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -108.13 170.23 8.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.782 168.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' SER . 16.2 m -125.32 126.29 44.84 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 m -128.19 130.06 47.44 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.841 -175.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.1 122.01 68.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.98 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.504 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . 7.7 m-85 -77.35 118.94 20.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.295 0.569 . . . . 0.0 110.58 177.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.4 mt -97.78 30.78 2.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.689 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.504 ' OD1' ' HB3' ' A' ' 82' ' ' TYR . 5.6 p-10 -76.38 0.18 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.214 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.38 -15.04 3.69 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.227 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.0 t -63.84 -55.27 24.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.906 0.384 . . . . 0.0 110.306 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 4.0 mm? -96.65 141.36 22.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.034 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 10.9 Cg_exo -71.11 161.3 46.42 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.988 2.458 . . . . 0.0 112.44 -178.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 4.5 p30 -64.85 -24.69 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.237 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 p -64.92 -28.44 69.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.097 0.475 . . . . 0.0 110.911 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -73.18 -32.32 64.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.707 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.9 mt -61.61 -35.9 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -54.14 -48.86 70.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.1 0.476 . . . . 0.0 110.867 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.68 -43.52 97.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.848 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.23 -41.34 98.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.472 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -77.46 -51.9 17.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.801 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.42 -42.95 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.143 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -62.79 -41.99 99.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.612 0.244 . . . . 0.0 111.485 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.54 ' HA ' HE21 ' A' ' 102' ' ' GLN . 50.7 m -62.91 -41.36 99.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 110.909 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.483 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.8 t80 -62.76 -48.07 80.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.735 178.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -57.42 -44.46 84.63 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.177 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.54 HE21 ' HA ' ' A' ' 99' ' ' SER . 48.0 mt-30 -57.38 -44.61 84.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.025 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.507 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.64 -39.92 94.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.416 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 100' ' ' TYR . 91.0 t -63.37 -42.98 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.182 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -69.82 -18.67 63.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.382 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 95.4 mt -90.57 -8.56 49.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.98 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 87.3 mt -84.92 155.54 61.17 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.913 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.84 160.24 26.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.987 2.458 . . . . 0.0 112.312 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.2 mm-40 -54.31 -48.29 71.48 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.967 -176.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' A' ' 110' ' ' GLU . 4.8 mp0 -53.05 -50.14 64.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.152 0.501 . . . . 0.0 111.044 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -67.47 -40.17 85.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.131 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -60.32 -35.97 76.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.59 -176.493 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 71.5 mmtt -58.94 -47.82 83.69 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.197 0.523 . . . . 0.0 110.976 -177.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.28 -44.77 95.06 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.849 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.402 HD22 ' HA3' ' A' ' 15' ' ' GLY . 44.2 mt -64.69 -31.75 73.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.341 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 112' ' ' ARG . 86.5 t -78.23 -32.29 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.938 0.399 . . . . 0.0 110.975 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -74.98 -28.31 60.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.243 -176.418 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HE2' ' HB2' ' A' ' 89' ' ' ASP . 20.9 ptp . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.7 0.286 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -117.37 -179.21 3.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.4 mm -64.47 -31.03 51.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.2 -173.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -63.05 -47.66 82.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.544 0.212 . . . . 0.0 110.924 -175.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.07 -41.93 99.54 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.249 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.64 -41.53 86.22 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.628 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.99 -45.47 92.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.995 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -58.78 -39.39 80.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.03 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -61.81 -45.04 95.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.649 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.0 m -61.92 -36.35 81.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.284 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 30.9 mmt -70.23 -18.05 63.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 111.12 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.16 59.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.219 0.533 . . . . 0.0 110.482 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 72.8 mmtt -94.64 117.04 66.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 24.3 Cg_exo -61.93 113.47 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.683 2.255 . . . . 0.0 111.968 -177.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 112.06 -18.3 23.91 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 176.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.97 113.97 12.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.703 0.287 . . . . 0.0 110.47 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -113.9 154.71 27.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.303 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.3 140.2 29.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.118 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.1 m -147.57 109.39 4.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.714 0.292 . . . . 0.0 110.944 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -95.86 124.14 48.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.268 0.556 . . . . 0.0 110.12 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -101.25 121.74 42.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.019 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -70.84 96.35 1.25 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.942 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 175.12 -71.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -80.8 -22.4 40.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.445 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.4 tttt 67.04 19.18 10.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.84 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 169.69 11.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.9 m -110.32 117.87 34.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.129 0.49 . . . . 0.0 110.324 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -92.06 131.73 37.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.068 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.9 mt -104.13 110.11 29.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.57 162.22 33.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.39 -175.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -94.57 -134.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.411 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 21.5 mm-40 -56.34 -66.38 0.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.075 0.464 . . . . 0.0 111.338 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -135.77 8.61 3.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.672 0.749 . . . . 0.0 109.597 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.14 103.71 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.109 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.8 tp -84.07 128.43 34.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 37.0 p90 -119.8 -34.44 3.75 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.351 -0.54 . . . . 0.0 112.387 -177.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.33 158.64 43.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.766 0.317 . . . . 0.0 111.097 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.2 ptp -147.02 130.32 16.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.382 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.18 121.91 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.98 117.92 14.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.626 -173.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -78.56 124.46 28.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.786 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.91 136.82 19.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 66.04 31.49 8.96 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 67.0 31.13 7.14 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.543 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -144.54 110.26 4.9 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.775 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.598 ' HA ' ' HA ' ' A' ' 41' ' ' GLU . 14.7 Cg_exo -68.52 114.92 3.65 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.733 2.289 . . . . 0.0 111.473 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.83 155.11 45.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.441 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.97 134.5 59.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.124 0.487 . . . . 0.0 110.458 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 79' ' ' SER . 18.3 m -103.0 122.64 45.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.746 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 50' ' ' LEU . 6.2 mp -110.04 178.95 4.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.387 177.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 36' ' ' PHE . 99.6 mttt -91.6 176.85 6.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.883 0.373 . . . . 0.0 110.595 177.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -72.82 89.55 1.38 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.182 173.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.788 ' HB2' HD23 ' A' ' 56' ' ' LEU . 11.8 m -113.45 165.06 14.16 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.3 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 53' ' ' SER . 40.3 Cg_exo -36.06 -67.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.743 2.962 . . . . 0.0 114.389 -176.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -67.04 -34.65 78.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 53' ' ' SER . 3.6 mm? -68.57 -41.36 79.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.902 0.382 . . . . 0.0 110.935 -177.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.46 -47.54 72.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.009 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -60.05 -38.66 83.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.167 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.612 HD12 ' HG3' ' A' ' 63' ' ' GLN . 45.7 tp -52.42 -50.96 61.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.663 175.111 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.03 -30.05 68.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.052 0.453 . . . . 0.0 111.054 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -73.26 -44.11 59.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.603 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.95 -50.63 4.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.612 ' HG3' HD12 ' A' ' 59' ' ' LEU . 15.1 mm100 -74.69 97.76 3.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 0.0 111.037 -174.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -85.45 -20.84 29.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.643 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.7 m -104.86 -177.6 3.41 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.394 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.51 -71.9 0.11 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.53 0.519 . . . . 0.0 112.175 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 121.737 0.78 . . . . 0.0 111.408 -175.328 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HB3' ' HD2' ' A' ' 75' ' ' LYS . 23.4 tpt180 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -83.94 -15.69 46.96 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.1 mt -89.59 -158.33 0.51 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.313 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -50.2 113.8 0.95 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HD2' ' HB3' ' A' ' 71' ' ' ARG . 7.3 mmmm -75.06 -51.86 12.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.749 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.52 66.11 9.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.043 0.449 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -176.3 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.129 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -120.63 136.84 54.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.365 176.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' SER . 17.5 m -125.2 126.41 45.18 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.446 0.641 . . . . 0.0 110.132 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.1 m -94.26 114.63 26.76 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.507 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.447 HG11 HD12 ' A' ' 87' ' ' LEU . 59.1 t -87.48 116.1 29.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.199 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.88 118.38 14.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.891 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.4 mt -86.98 12.64 10.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.434 0.635 . . . . 0.0 109.953 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -83.96 72.18 10.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.054 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.38 38.51 95.03 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.462 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 t -109.52 -81.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.79 0.295 . . . . 0.0 110.667 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.447 HD12 HG11 ' A' ' 81' ' ' VAL . 74.8 mt -87.19 144.12 35.7 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 120.699 0.285 . . . . 0.0 110.783 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.95 166.26 29.63 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.775 2.317 . . . . 0.0 112.582 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.424 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 11.5 p-10 -67.25 -26.53 66.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.885 -178.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 p -68.84 -29.25 67.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.026 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.416 ' HG2' HD13 ' A' ' 87' ' ' LEU . 7.0 tp60 -70.51 -32.04 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.303 -178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 96' ' ' VAL . 49.8 mm -56.2 -41.82 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.203 -177.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -57.5 -42.81 83.49 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -71.53 -40.01 70.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.726 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.71 -43.96 97.84 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.352 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 92' ' ' ILE . 93.0 t -62.84 -52.38 60.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.035 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.54 -37.01 85.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.487 -177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.51 91.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.864 0.364 . . . . 0.0 111.093 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -76.07 -34.35 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.778 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.474 ' O ' HG23 ' A' ' 104' ' ' VAL . 54.4 t80 -73.14 -42.51 62.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.024 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -59.23 -50.29 74.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.79 0.328 . . . . 0.0 111.275 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 11.8 pt20 -59.7 -32.52 70.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.38 -42.41 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.626 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' ' 107' ' ' LEU . 84.5 t -62.43 -35.49 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.051 0.453 . . . . 0.0 110.681 178.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.77 -17.12 63.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.914 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 87.7 mt -97.54 -4.34 38.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.916 0.389 . . . . 0.0 110.555 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 104' ' ' VAL . 94.4 mt -84.6 151.43 58.6 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.629 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.33 169.74 17.67 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.904 2.402 . . . . 0.0 112.78 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -49.13 69.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.421 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -52.14 -53.25 45.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.716 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 13.9 mptt -63.08 -43.34 98.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.831 -173.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 112' ' ' ARG . 18.1 mtm180 -62.94 -41.69 99.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -69.48 -32.16 70.89 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.739 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.77 -40.88 79.49 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 79.3 mt -59.98 -34.66 73.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 112' ' ' ARG . 52.6 t -70.2 -29.25 38.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.294 0.569 . . . . 0.0 110.854 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -76.45 -28.85 56.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.119 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.109 -175.029 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.99 148.58 27.54 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 46' ' ' PRO . 41.0 mm -63.16 -29.97 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.411 -176.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -58.36 -38.51 77.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.788 0.328 . . . . 0.0 110.706 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.88 -41.33 82.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.207 0.527 . . . . 0.0 110.278 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.46 -42.17 99.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.681 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 88.9 mt -64.44 -40.11 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.05 -39.65 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.942 0.401 . . . . 0.0 109.925 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -64.7 -35.66 81.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.935 177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.9 m -73.04 -27.02 61.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 110.846 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 1.6 mmt -71.36 -11.73 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.839 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.7 -1.02 57.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.526 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -96.3 115.74 65.77 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.03 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.94 131.82 26.54 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.912 2.408 . . . . 0.0 112.251 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.82 -0.15 89.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.561 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.07 125.34 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.007 0.432 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -106.65 124.24 49.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.723 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.13 120.47 37.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.159 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 m -125.74 104.36 8.31 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.397 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.609 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 5.5 p -79.92 123.12 36.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.127 0.489 . . . . 0.0 109.754 175.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -98.81 137.49 37.31 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -70.95 -169.36 0.35 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 73.07 -66.28 0.32 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.577 0.751 . . . . 0.0 109.937 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -94.95 -16.29 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.5 mttt 59.52 26.49 15.48 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.546 0.689 . . . . 0.0 110.587 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.57 127.08 32.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.073 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.609 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 16.6 m -89.8 117.37 28.59 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.893 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -95.44 128.65 42.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.598 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 mt -103.84 113.12 39.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CE ' ' HA ' ' A' ' 33' ' ' ASP . 22.3 ptmt -131.52 163.82 27.17 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.443 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -90.28 -134.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -48.01 -63.1 1.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.164 0.507 . . . . 0.0 109.958 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.7 t70 -145.9 8.75 1.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.712 0.768 . . . . 0.0 109.46 170.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.6 t -85.74 105.99 14.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.424 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 tp -86.81 127.25 35.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.831 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -118.85 -32.43 4.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.009 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.67 162.77 39.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.728 0.299 . . . . 0.0 110.854 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -156.21 146.57 21.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.479 HG21 HD12 ' A' ' 3' ' ' ILE . 7.5 p -105.0 127.76 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.083 0.468 . . . . 0.0 110.422 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -121.04 123.35 42.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.86 111.89 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -146.02 128.61 9.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.085 -177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.9 OUTLIER 63.39 31.35 15.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.699 178.734 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 8.1 t30 78.48 -2.69 2.35 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.981 0.8 . . . . 0.0 110.865 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -100.0 111.16 61.57 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.674 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' HB2' HD11 ' A' ' 3' ' ' ILE . 58.1 Cg_endo -83.7 107.39 1.36 Allowed 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.379 2.053 . . . . 0.0 110.537 172.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 82' ' ' TYR . . . -124.34 163.02 22.58 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.358 -173.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.49 132.24 66.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.099 0.476 . . . . 0.0 110.856 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 20.4 m -97.75 129.29 44.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.119 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.37 163.36 12.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.991 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' HG2' ' H ' ' A' ' 52' ' ' THR . 60.8 tttt -92.4 -144.95 0.21 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.985 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.478 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 17.4 p -76.61 73.24 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.282 0.563 . . . . 0.0 109.785 174.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.466 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 15.2 m -109.79 140.31 22.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.599 -173.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 22.4 Cg_exo -65.85 -22.17 56.73 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.104 2.536 . . . . 0.0 111.989 176.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 94' ' ' TYR . 9.6 mp0 -54.31 -41.57 69.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.12 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.82 -32.59 73.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.979 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.21 -35.13 63.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.934 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -62.55 -46.21 89.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.347 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.3 mt -52.31 -47.87 65.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.117 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 60' ' ' LEU . 6.7 tt -55.3 -36.99 66.78 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.644 0.59 . . . . 0.0 111.761 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -75.41 -25.59 57.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.385 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.25 -59.95 1.73 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.141 -175.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -116.22 -173.26 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 65' ' ' SER . 47.8 m80 -140.68 177.95 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 71.3 m 69.8 14.24 8.04 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.481 0.657 . . . . 0.0 109.994 -173.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.441 ' OD2' HG23 ' A' ' 67' ' ' VAL . 12.3 p-10 -97.48 178.42 5.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.546 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.441 HG23 ' OD2' ' A' ' 66' ' ' ASP . 53.6 t . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 121.491 0.662 . . . . 0.0 111.203 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -70.45 -28.0 64.68 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 171.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.3 mt -86.64 -78.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.709 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -166.98 113.01 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -51.21 -62.3 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.786 0.679 . . . . 0.0 112.59 -168.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.1 78.46 1.52 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.166 0.508 . . . . 0.0 111.058 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -170.97 -44.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.333 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -124.35 127.16 47.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.627 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.2 t -127.16 136.46 52.11 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.572 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 9.4 m -107.93 128.93 55.07 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.988 0.423 . . . . 0.0 111.5 -173.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.69 103.84 15.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.539 ' CE1' ' HB ' ' A' ' 80' ' ' THR . 78.7 m-85 -85.6 128.43 34.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.743 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.15 34.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.31 0.576 . . . . 0.0 110.615 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 82' ' ' TYR . 36.8 t70 -85.48 -14.12 47.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.091 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.22 -147.99 11.75 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.645 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.9 m -85.33 85.83 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.851 0.357 . . . . 0.0 111.153 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.07 112.8 31.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.429 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -74.09 161.09 41.66 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.771 2.314 . . . . 0.0 112.248 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.68 -39.57 84.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.053 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.6 m -62.55 -28.81 70.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.409 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -70.12 -33.08 71.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.033 0.444 . . . . 0.0 110.697 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.56 -38.44 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.782 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -59.85 -49.49 77.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 55' ' ' GLU . 77.0 t80 -64.28 -44.48 91.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.067 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.9 mt -56.45 -42.59 78.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.86 0.362 . . . . 0.0 111.263 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.37 -52.86 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.479 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -70.27 -34.66 73.06 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -60.05 -35.69 75.69 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.058 0.456 . . . . 0.0 110.397 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.9 m -70.74 -30.26 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.25 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 104' ' ' VAL . 52.9 t80 -66.79 -45.18 79.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.337 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.43 -34.78 67.14 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.569 0.223 . . . . 0.0 111.187 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 26.2 mt-30 -60.79 -46.39 90.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.9 -40.8 75.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.087 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 100' ' ' TYR . 74.9 t -58.19 -45.62 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.302 -176.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.02 -16.61 59.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.85 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.0 mt -93.16 -4.86 51.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.19 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 84.6 mt -69.65 139.59 88.91 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 0.0 111.064 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.512 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 17.1 Cg_exo -68.97 -179.32 2.48 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 123.326 2.684 . . . . 0.0 113.169 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -45.46 -64.2 0.78 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.804 -1.089 . . . . 0.0 112.289 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -49.31 -52.99 24.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.092 -175.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.512 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 3.4 mptp? -63.09 -48.7 77.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.911 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.2 mmt180 -56.62 -44.41 81.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.936 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.808 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 8.1 mmpt? -53.8 -44.99 70.62 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 111.647 -177.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -36.36 82.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 -177.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 80.1 mt -77.7 -26.68 50.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.774 -175.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.1 t -80.54 -37.75 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.759 0.314 . . . . 0.0 111.232 -177.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -72.93 -28.53 62.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.795 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.753 -0.641 . . . . 0.0 110.457 179.079 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.8 p -99.96 155.83 17.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.083 0.468 . . . . 0.0 111.618 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.574 HD13 ' HB ' ' A' ' 39' ' ' VAL . 65.2 mt -64.38 -33.02 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.999 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.5 t -54.38 -41.77 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.885 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.71 -41.85 68.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.453 0.644 . . . . 0.0 109.875 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.2 -36.46 83.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.789 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 47.0 mt -54.47 -41.99 70.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.121 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -72.31 -33.07 67.1 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.533 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.65 -32.22 73.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.447 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.0 m -59.92 -35.11 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.855 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 94.1 mmm -76.87 -10.94 59.71 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.737 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.99 -6.55 57.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 9.1 mmpt? -96.68 108.08 40.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 176.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.478 ' O ' HD22 ' A' ' 115' ' ' LEU . 24.3 Cg_endo -62.0 107.79 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.632 2.221 . . . . 0.0 112.537 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 -3.43 18.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.657 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.54 117.37 31.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.752 0.31 . . . . 0.0 111.04 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -106.0 146.53 29.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.311 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -89.95 119.87 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.578 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -112.31 107.65 16.57 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.009 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.44 145.84 8.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.076 0.465 . . . . 0.0 111.143 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.56 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 11.3 m80 -126.73 162.49 25.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.319 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -82.23 -174.74 5.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.125 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.2 t70 77.96 -62.58 0.36 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.077 0.951 . . . . 0.0 111.781 177.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.56 ' HD1' ' H ' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -122.99 4.22 9.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.702 0.287 . . . . 0.0 111.342 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 42.9 tttp 57.58 38.03 27.73 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.58 172.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' HB1' ' HG3' ' A' ' 40' ' ' LYS . . . -68.09 140.64 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.617 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -111.04 118.45 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.111 0.481 . . . . 0.0 110.693 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 38' ' ' MET . 49.7 mt-30 -100.94 133.46 45.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.182 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.2 mt -104.72 108.83 25.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HD2' ' O ' ' A' ' 31' ' ' VAL . 3.9 pptp? -143.8 154.8 43.79 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.742 -175.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.586 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 2.2 t -81.95 -131.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.194 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -48.64 -67.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.098 0.475 . . . . 0.0 110.028 171.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.75 9.26 1.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.968 0.889 . . . . 0.0 109.102 170.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.85 97.69 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.496 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.8 tp -85.89 111.16 19.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.726 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' HD1' ' HB3' ' A' ' 99' ' ' SER . 35.1 p90 -109.2 -12.84 14.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.657 -176.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.37 149.98 2.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.496 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.416 ' HB2' ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -146.56 136.85 23.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.043 0.449 . . . . 0.0 110.381 174.639 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.574 ' HB ' HD13 ' A' ' 3' ' ' ILE . 15.7 m -105.91 138.4 31.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.898 -176.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HD3' ' C ' ' A' ' 39' ' ' VAL . 3.3 mppt? -134.36 123.55 24.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.708 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -79.07 110.76 14.61 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 169.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.454 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.5 p -127.82 121.57 56.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.794 -178.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HG3' HG22 ' A' ' 42' ' ' VAL . 31.1 mt-10 62.17 22.66 13.3 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.752 -177.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t30 66.23 21.07 11.09 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.272 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -115.21 119.87 37.76 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.86 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HB3' HG13 ' A' ' 3' ' ' ILE . 21.5 Cg_endo -61.48 117.9 4.74 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.96 2.44 . . . . 0.0 113.012 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.45 130.67 46.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.0 110.944 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -123.7 158.11 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.015 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 79' ' ' SER . 20.3 m -131.45 129.59 41.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 95' ' ' LEU . 6.8 mp -122.43 -83.64 0.66 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.23 0.331 . . . . 0.0 111.557 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.839 ' HD3' ' H ' ' A' ' 52' ' ' THR . 6.5 tmtt? 68.57 174.84 0.28 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.697 0.623 . . . . 0.0 109.408 -174.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.839 ' H ' ' HD3' ' A' ' 51' ' ' LYS . 4.0 m 61.72 26.7 16.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.8 0.81 . . . . 0.0 111.323 175.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 2.5 p -138.21 130.93 16.31 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.328 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 73.7 Cg_exo -51.87 -55.32 4.02 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.388 2.725 . . . . 0.0 113.882 -173.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.87 -41.47 99.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.131 -176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.77 -38.78 87.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.844 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.59 84.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.211 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -72.97 -44.56 60.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.043 0.449 . . . . 0.0 110.392 176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.443 ' HG ' HG11 ' A' ' 67' ' ' VAL . 38.9 tp -52.72 -46.21 67.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.278 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HA ' HG13 ' A' ' 67' ' ' VAL . 4.6 pp -71.99 -28.62 63.52 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.967 0.413 . . . . 0.0 111.182 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.177 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.66 -54.05 4.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.399 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -82.39 128.12 33.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.704 0.287 . . . . 0.0 110.73 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -122.69 -7.28 8.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.099 0.476 . . . . 0.0 110.046 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -94.21 -34.2 12.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.553 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.63 -87.42 0.26 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.291 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.443 HG11 ' HG ' ' A' ' 59' ' ' LEU . 3.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.994 0.426 . . . . 0.0 109.905 175.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.658 ' O ' ' HD2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 121.466 0.65 . . . . 0.0 111.232 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -75.87 -16.93 59.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.871 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.42 HD21 ' CH2' ' A' ' 24' ' ' TRP . 76.4 mt -136.74 -60.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.095 176.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -147.12 168.96 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -85.19 -52.64 5.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.881 0.372 . . . . 0.0 111.307 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.28 99.97 4.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 111.278 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -175.98 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -119.05 -179.08 3.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.933 173.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 49' ' ' SER . 19.5 m -132.42 131.21 41.54 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.0 m -91.37 113.86 26.24 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.906 0.384 . . . . 0.0 110.809 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 t -109.65 118.99 58.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.453 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -89.64 115.09 26.76 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.927 0.394 . . . . 0.0 110.653 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . 47.1 mt -67.22 -26.87 66.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.911 0.862 . . . . 0.0 108.787 176.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.78 68.49 9.93 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.502 169.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.95 -140.74 2.95 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.617 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.7 t -87.06 -15.73 37.7 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 87' ' ' LEU . 3.6 mm? -76.45 126.3 86.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.598 0.237 . . . . 0.0 111.627 -176.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.17 160.56 26.47 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.966 2.444 . . . . 0.0 112.364 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.24 -50.59 49.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.037 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -56.07 -42.68 77.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.927 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.58 HE22 HD21 ' A' ' 95' ' ' LEU . 20.4 tm0? -69.47 -37.25 77.22 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.515 HD13 HD22 ' A' ' 83' ' ' LEU . 79.5 mt -63.28 -41.06 91.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.042 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -62.44 -37.16 84.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.042 0.449 . . . . 0.0 110.179 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -64.37 -42.01 96.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.582 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.66 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.5 mt -58.18 -55.29 36.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.792 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.69 -45.64 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.056 0.455 . . . . 0.0 111.237 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.67 -31.5 70.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.12 82.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.783 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 66.4 m -62.7 -34.69 77.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.062 0.458 . . . . 0.0 110.648 176.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' O ' HG23 ' A' ' 104' ' ' VAL . 44.2 t80 -69.41 -45.89 68.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.21 175.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -41.42 94.49 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.032 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 99' ' ' SER . 19.7 pt20 -64.97 -31.63 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.768 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -72.97 -29.67 63.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.811 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 100' ' ' TYR . 88.5 t -62.94 -38.77 82.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.829 -177.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -76.97 -17.12 59.09 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.852 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.6 mt -81.57 -32.48 32.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 98.7 mt -74.03 140.42 77.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.56 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 5.6 Cg_exo -80.9 -176.97 3.42 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.886 2.391 . . . . 0.0 113.219 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -47.14 -51.35 18.37 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.298 177.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -48.65 -52.65 22.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.936 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.63 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 14.0 mptt -69.17 -42.58 75.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.263 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 116' ' ' VAL . 14.0 mtp180 -61.35 -37.18 82.39 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.123 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.711 ' HA ' ' HE3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -58.16 -32.37 68.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.155 0.503 . . . . 0.0 110.823 179.118 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 93.3 mt -81.91 -46.58 13.87 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.985 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 62.9 mt -57.49 -32.64 67.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.188 -175.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 112' ' ' ARG . 88.6 t -68.52 -41.36 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.014 0.435 . . . . 0.0 110.659 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -77.23 -29.18 53.98 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.203 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 87.0 mt . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.732 -0.651 . . . . 0.0 111.674 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 ttm . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.1 -0.334 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.9 p -100.39 169.86 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.867 0.365 . . . . 0.0 111.187 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.54 HD11 ' HB3' ' A' ' 46' ' ' PRO . 46.4 mm -68.9 -24.57 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.316 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -59.84 -43.67 94.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.345 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -59.97 -45.66 91.96 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.28 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.6 -49.69 70.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.206 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.8 tm? -55.96 -49.34 73.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.66 -177.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.94 -43.04 99.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.943 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -68.47 -32.47 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.851 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.5 m -67.84 -34.42 76.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.633 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.3 mtp -75.61 -13.32 60.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 110.556 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.34 1.1 52.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.487 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -93.47 109.36 40.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.91 112.59 1.33 Allowed 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.583 2.189 . . . . 0.0 112.387 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.03 -13.26 24.19 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.18 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.09 128.22 45.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.095 0.474 . . . . 0.0 110.521 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -124.94 147.66 48.76 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -110.6 152.13 26.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.243 0.544 . . . . 0.0 110.958 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -138.59 103.79 4.95 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.441 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 3.5 p -97.74 123.86 50.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.317 0.579 . . . . 0.0 110.633 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -107.73 97.04 6.81 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -66.39 133.5 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.173 0.511 . . . . 0.0 111.557 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 173.12 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -144.53 32.76 1.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.288 172.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HD3' ' HB3' ' A' ' 41' ' ' GLU . 9.5 mptt 58.53 40.79 23.44 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.213 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.903 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . . . -76.01 97.57 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.659 177.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 9.4 m -109.35 118.31 36.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.528 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.424 ' HB3' HD13 ' A' ' 35' ' ' LEU . 91.5 mt-30 -99.83 113.28 25.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.379 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.1 mt -98.66 114.82 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 33' ' ' ASP . 60.8 pttt -148.92 169.16 21.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.242 0.544 . . . . 0.0 111.908 -171.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.12 -131.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -38.79 -66.06 0.31 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.539 0.685 . . . . 0.0 110.087 172.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 25.6 t70 -154.06 19.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.276 169.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 t -80.98 94.76 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.959 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.534 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 56.5 tp -79.25 101.73 8.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -96.59 -27.77 14.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.166 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.37 132.1 14.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.964 0.411 . . . . 0.0 110.73 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.625 ' HG3' ' HB2' ' A' ' 49' ' ' SER . 6.0 ptt? -133.18 122.01 23.39 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.492 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 14.4 p -102.71 140.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.986 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.903 ' HG3' ' HA ' ' A' ' 26' ' ' ALA . 3.7 mppt? -138.82 161.34 37.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.954 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 25' ' ' LYS . 2.1 tm-20 -125.37 113.73 17.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 175.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.99 107.82 20.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.25 0.547 . . . . 0.0 111.185 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 60.03 47.05 10.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.133 173.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.6 t30 79.12 2.49 2.38 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.684 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -108.2 107.81 60.57 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.936 0.398 . . . . 0.0 111.268 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' HB3' HD11 ' A' ' 3' ' ' ILE . 8.1 Cg_exo -72.78 122.08 7.89 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.938 2.426 . . . . 0.0 111.082 174.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.55 128.72 41.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.06 130.25 71.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.087 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.625 ' HB2' ' HG3' ' A' ' 38' ' ' MET . 19.2 m -104.53 116.85 32.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.78 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 95' ' ' LEU . 5.1 mp -101.44 164.69 11.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.417 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' A' ' 35' ' ' LEU . 56.1 mttm -81.45 155.22 25.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 169.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.1 m -55.6 113.7 1.56 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.044 0.45 . . . . 0.0 110.805 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.76 ' HB2' HD23 ' A' ' 56' ' ' LEU . 23.0 m -121.5 149.61 52.91 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.929 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -52.15 -47.64 25.72 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.908 2.405 . . . . 0.0 112.414 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 41.5 mt-10 -70.48 -34.99 73.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.37 -177.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.76 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -67.7 -40.16 84.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.021 0.438 . . . . 0.0 110.275 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.5 -34.38 70.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.467 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -56.81 -53.61 55.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.146 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 99.5 mt -55.84 -51.54 67.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.46 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.1 tp -66.52 -31.05 71.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 111.601 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -71.78 -38.28 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.881 0.372 . . . . 0.0 110.797 -176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.46 -45.0 7.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.684 -176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -94.11 121.28 35.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -96.05 124.9 40.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.531 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 t 68.26 -170.7 0.19 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.492 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 71.79 -39.63 0.45 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.236 1.015 . . . . 0.0 111.945 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 171.841 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -83.25 -23.36 32.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.71 62.98 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.776 0.322 . . . . 0.0 110.844 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 65.3 155.16 0.08 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.82 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -86.78 -24.99 24.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.088 -0.383 . . . . 0.0 111.319 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.94 172.17 10.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.129 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.8 m170 70.88 -53.15 0.67 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.372 0.669 . . . . 0.0 110.457 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -96.13 141.54 29.38 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 49' ' ' SER . 11.0 m -125.67 124.44 41.13 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.8 m -113.92 113.82 25.38 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.555 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.7 t -92.09 114.42 29.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.141 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -88.54 106.13 18.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.586 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 68.3 mt -59.23 -55.7 31.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.943 -176.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.0 t0 59.68 12.99 3.17 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.572 175.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.75 9.44 86.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.807 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -123.42 24.69 8.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.442 . . . . 0.0 110.847 -177.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -112.2 121.2 39.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -179.356 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 87' ' ' LEU . 2.4 Cg_endo -47.07 129.91 15.75 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.491 2.794 . . . . 0.0 113.148 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -53.43 -46.77 69.94 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.552 -173.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.5 m -72.65 -28.52 62.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.769 0.319 . . . . 0.0 111.542 -173.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.565 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.2 mm-40 -70.24 -31.83 69.41 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.726 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.2 -48.56 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -65.25 -38.91 91.81 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.076 0.465 . . . . 0.0 110.486 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -60.51 -40.39 91.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.937 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.671 ' HB3' HD21 ' A' ' 50' ' ' LEU . 81.0 mt -64.06 -38.77 92.27 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.73 -53.78 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.717 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.98 -34.39 77.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.513 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.62 -38.81 85.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.934 0.397 . . . . 0.0 110.76 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.4 m -77.36 -39.37 47.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.432 ' O ' HG23 ' A' ' 104' ' ' VAL . 51.2 t80 -65.95 -47.62 74.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.274 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -58.46 -50.16 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -62.52 -32.65 73.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.142 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.4 -37.98 77.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.781 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 100' ' ' TYR . 99.2 t -64.94 -36.56 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.46 -16.83 63.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.263 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.07 -4.75 42.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.76 0.314 . . . . 0.0 111.193 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 97.0 mt -84.54 146.39 46.98 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.675 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -72.5 168.16 25.09 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.952 2.435 . . . . 0.0 113.001 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.688 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.1 tp10 -45.27 -58.39 3.32 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.802 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -48.11 -49.17 32.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.386 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -70.97 -42.42 69.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.25 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 116' ' ' VAL . 55.5 mtp180 -65.35 -26.26 67.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.813 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.801 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 7.4 mmpt? -55.75 -41.47 74.0 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-O 120.976 0.417 . . . . 0.0 110.967 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.75 -45.07 72.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.534 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.08 -31.7 71.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.885 -175.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 112' ' ' ARG . 75.5 t -80.75 -34.7 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -74.3 -28.74 61.32 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.471 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.61 179.743 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.468 ' HE2' ' HB2' ' A' ' 89' ' ' ASP . 58.4 ttp . . . . . 0 N--CA 1.481 1.125 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -113.21 -177.66 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.179 0.514 . . . . 0.0 111.116 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.566 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 47.4 mm -68.74 -24.03 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.332 177.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 m -57.6 -34.59 69.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.321 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.1 -36.52 64.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.299 0.571 . . . . 0.0 110.195 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.12 -31.74 64.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.11 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 89.0 mt -55.28 -45.44 76.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.233 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -69.8 -34.36 73.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.59 -31.83 70.22 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.266 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.6 m -66.98 -19.04 65.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.546 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 mmt -78.89 -11.83 60.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.168 0.508 . . . . 0.0 109.832 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.9 -2.12 53.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.54 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -98.61 106.07 34.29 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.213 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.485 ' O ' HD22 ' A' ' 115' ' ' LEU . 19.2 Cg_endo -57.94 117.51 4.23 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.765 2.31 . . . . 0.0 113.064 -175.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 115.54 -21.96 12.33 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.05 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.39 120.02 25.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.818 0.342 . . . . 0.0 111.457 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 151.97 36.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.548 ' HG2' HG12 ' A' ' 29' ' ' ILE . 65.5 mt-30 -122.33 132.29 54.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.361 . . . . 0.0 111.402 -174.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.7 m -142.15 128.47 19.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.669 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 3.9 p -91.83 130.36 41.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -116.04 162.42 17.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -58.14 -25.84 61.93 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -66.75 100.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.53 0.205 . . . . 0.0 110.817 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 13.1 m0 64.62 8.51 4.46 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.802 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 mttp 57.86 31.22 20.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.157 0.503 . . . . 0.0 110.418 -175.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.28 139.59 34.09 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.634 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 43.1 m -99.87 118.89 37.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.114 0.483 . . . . 0.0 109.894 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.23 135.72 37.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.646 -176.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.548 HG12 ' HG2' ' A' ' 18' ' ' GLN . 53.0 mt -108.93 113.87 45.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.72 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.84 168.51 19.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.399 -176.443 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.57 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 2.2 t -79.78 -133.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 33' ' ' ASP . 6.9 pt-20 -58.82 -63.85 1.15 Allowed 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.94 -0.475 . . . . 0.0 110.2 173.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.582 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 28.7 t70 -140.3 18.64 2.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.775 0.798 . . . . 0.0 109.887 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.3 t -98.61 101.07 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.822 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.72 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 7.8 tt -86.54 124.48 32.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.804 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -126.74 -21.25 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.692 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -139.37 150.89 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 111.083 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.623 ' HG2' ' HB3' ' A' ' 49' ' ' SER . 26.8 ptm -153.88 140.82 19.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.718 177.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.67 124.12 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.279 0.562 . . . . 0.0 110.587 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HD3' HG21 ' A' ' 80' ' ' THR . 9.6 ptmm? -129.85 135.29 48.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.422 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -99.89 130.62 46.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.041 0.448 . . . . 0.0 110.77 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -149.84 143.13 17.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 171.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 34.3 tt0 64.24 19.59 11.84 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -174.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 65.1 18.65 11.55 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.362 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 mpt_? -112.95 133.64 21.95 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.379 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 2.8 Cg_exo -76.89 129.82 10.95 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.951 2.434 . . . . 0.0 112.119 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.515 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -122.7 142.43 50.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.831 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.04 133.58 64.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.056 0.455 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.623 ' HB3' ' HG2' ' A' ' 38' ' ' MET . 8.8 t -111.34 130.81 55.56 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.479 HD21 ' HB3' ' A' ' 95' ' ' LEU . 5.6 mp -105.33 35.28 2.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.806 -171.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HA ' ' CZ3' ' A' ' 78' ' ' TRP . 7.6 tmtt? 52.5 52.88 13.25 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.401 0.62 . . . . 0.0 109.89 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 m 73.7 -71.23 0.14 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.516 -177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.4 t 64.58 114.91 0.02 OUTLIER Pre-proline 0 C--O 1.234 0.287 0 O-C-N 123.832 0.707 . . . . 0.0 111.185 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 32.4 Cg_exo -60.26 -19.76 59.13 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.859 2.373 . . . . 0.0 112.299 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -77.18 -47.21 20.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.647 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.62 -35.17 70.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.155 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.33 85.96 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 54' ' ' PRO . 42.6 mm-40 -63.75 -50.9 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.1 tp -52.97 -44.23 67.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.864 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 64' ' ' HIS . 38.5 tp -65.41 -37.65 87.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.178 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -66.14 -49.1 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.984 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -62.56 -65.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.71 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -129.2 99.13 5.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.055 0.455 . . . . 0.0 111.158 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.462 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 12.9 p-80 -105.2 58.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.57 0.7 . . . . 0.0 110.875 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 32.4 m -128.36 149.2 50.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.864 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' A' ' 65' ' ' SER . 29.1 t70 73.54 -44.95 0.6 Allowed 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.712 0.632 . . . . 0.0 110.892 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 173.509 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HB3' ' HA ' ' A' ' 75' ' ' LYS . 11.0 tpt180 . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -73.01 -30.42 63.76 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.7 mt -57.08 -71.59 0.09 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.098 0.475 . . . . 0.0 109.945 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' OD1' ' HB2' ' A' ' 77' ' ' HIS . 2.1 t-20 -151.67 111.14 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 171.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 5.0 tmmm? -61.1 -35.82 78.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.424 -176.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.47 22.53 4.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.435 ' HB2' ' OD1' ' A' ' 74' ' ' ASN . 10.5 t-160 -122.61 -60.09 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.732 0.301 . . . . 0.0 110.348 176.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.515 ' CZ3' ' HA ' ' A' ' 51' ' ' LYS . 59.7 m95 -98.56 153.62 18.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.905 0.383 . . . . 0.0 110.366 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -125.33 126.35 44.93 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.515 HG22 ' HB1' ' A' ' 47' ' ' ALA . 16.4 m -123.14 122.67 39.02 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.356 -175.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.0 t -103.29 130.16 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.427 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.487 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 44.5 m-85 -97.66 132.75 43.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.608 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.51 42.14 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.078 0.466 . . . . 0.0 110.9 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -88.02 70.12 9.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.271 0.558 . . . . 0.0 110.743 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.93 -35.24 1.44 Allowed Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.594 -0.73 . . . . 0.0 113.937 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.59 ' HB2' HD22 ' A' ' 87' ' ' LEU . 14.6 m -59.08 -38.27 79.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -174.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 86' ' ' SER . 3.1 mm? -100.73 118.31 60.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.608 0.242 . . . . 0.0 111.208 -173.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.75 159.17 52.57 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.906 2.404 . . . . 0.0 110.95 173.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.468 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 1.2 p-10 -64.1 -30.52 71.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.519 0.199 . . . . 0.0 110.836 -174.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.5 t -63.64 -39.48 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.941 0.401 . . . . 0.0 110.466 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.502 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.5 mm-40 -69.83 -32.84 71.46 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.44 -38.81 77.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.482 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -63.39 -47.42 82.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.378 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.08 -45.59 91.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.15 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 87.5 mt -55.63 -54.74 40.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.682 0.277 . . . . 0.0 111.223 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.8 -43.79 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 33.5 t70 -68.27 -35.15 77.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.955 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.627 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -58.19 -54.71 43.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.604 178.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 p -61.1 -30.9 70.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.127 0.489 . . . . 0.0 110.715 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.45 ' O ' HG23 ' A' ' 104' ' ' VAL . 87.6 t80 -67.04 -46.02 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.329 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 16.8 mm100 -58.62 -44.46 89.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.526 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 69.0 mt-30 -59.46 -46.97 87.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.342 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.23 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.382 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 100' ' ' TYR . 98.6 t -61.18 -39.15 81.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.927 0.394 . . . . 0.0 111.002 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -68.4 -18.61 64.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.549 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 99.2 mt -88.14 -10.4 50.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.839 0.352 . . . . 0.0 110.946 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.26 148.37 49.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.613 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.29 170.45 15.97 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.734 2.289 . . . . 0.0 112.719 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 20.3 mm-40 -49.72 -45.06 48.72 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.77 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -48.4 -51.48 26.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.712 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 12.3 mptt -73.53 -47.53 40.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 116' ' ' VAL . 21.3 mtm180 -59.12 -38.71 80.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' A' ' 117' ' ' GLN . 32.6 mmtp -65.28 -46.76 79.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.82 0.343 . . . . 0.0 110.506 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.5 mt -63.66 -39.55 94.62 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.891 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 48.7 mt -62.54 -29.91 70.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.332 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 112' ' ' ARG . 61.9 t -78.75 -29.06 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.166 0.508 . . . . 0.0 110.441 177.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 26.8 mm-40 -71.96 -28.95 63.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.469 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.906 -179.714 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.672 0.272 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.1 p -91.09 169.47 10.83 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 170.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.543 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 46.0 mm -63.97 -31.69 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -61.16 -43.54 98.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.55 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.92 -38.39 90.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.812 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.29 -46.31 80.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.945 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 90.0 mt -59.7 -44.38 93.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.84 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.19 -36.59 84.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.79 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -65.06 -33.96 77.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 110.37 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.09 -25.62 62.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.0 mmt -73.44 -21.11 60.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.2 -23.25 51.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.142 0.496 . . . . 0.0 110.504 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -85.41 117.34 68.56 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.68 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.71 137.74 46.74 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.761 2.307 . . . . 0.0 112.205 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.23 -20.83 34.71 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.369 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.41 115.11 20.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.878 0.371 . . . . 0.0 110.04 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -118.15 148.49 42.29 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.243 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -90.94 128.16 36.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.783 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.541 ' HB2' ' HB2' ' A' ' 28' ' ' GLN . 15.5 m -113.09 142.25 45.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.34 112.23 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.751 0.786 . . . . 0.0 110.696 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -104.37 112.57 25.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.119 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 62.3 t30 -60.95 164.65 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 39.2 t70 89.74 -32.81 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.333 1.053 . . . . 0.0 109.081 -169.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -116.17 -36.98 3.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.637 170.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.8 tttm 68.44 13.86 9.04 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.607 0.718 . . . . 0.0 110.943 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.12 178.76 4.82 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.599 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 m -102.59 132.88 48.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.158 0.504 . . . . 0.0 111.942 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.677 ' HG3' ' HG3' ' A' ' 38' ' ' MET . 2.5 mp0 -105.65 142.32 35.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.466 174.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.6 mp -114.93 110.74 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -138.44 162.3 34.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.051 0.453 . . . . 0.0 111.446 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -103.9 -133.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -44.51 -69.94 0.12 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.397 0.435 . . . . 0.0 110.849 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -138.64 3.09 2.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.982 0.896 . . . . 0.0 109.326 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.8 t -82.88 96.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.611 -175.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.4 tp -87.74 95.35 10.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -97.55 -21.35 17.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.872 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.82 126.11 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 0.0 111.316 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.677 ' HG3' ' HG3' ' A' ' 28' ' ' GLN . 41.3 ttp -144.79 120.12 10.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.391 176.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.472 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 9.9 p -86.88 144.25 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.084 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.576 ' HB2' ' NZ ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -141.43 133.04 27.04 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.809 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -87.02 111.98 21.39 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' ' 43' ' ' GLU . 7.1 p -139.04 138.1 41.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.543 ' HG2' HG22 ' A' ' 42' ' ' VAL . 25.7 mm-40 64.46 33.64 10.91 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.414 0.626 . . . . 0.0 109.332 -174.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.0 t30 73.51 -6.2 1.82 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.155 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.584 ' HB2' ' HE2' ' A' ' 82' ' ' TYR . 4.7 mmp_? -114.18 140.24 24.73 Favored Pre-proline 0 C--N 1.323 -0.558 0 O-C-N 121.804 -0.56 . . . . 0.0 111.31 -177.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.87 117.41 5.14 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.731 2.287 . . . . 0.0 112.02 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.02 154.38 44.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.644 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -115.51 150.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.942 0.401 . . . . 0.0 110.303 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.0 m -134.87 118.36 16.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.305 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 6.5 mp -94.49 144.01 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 174.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -78.61 92.17 4.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.211 0.529 . . . . 0.0 110.159 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 15.0 m 71.35 -84.41 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.212 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.466 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 60.4 p 59.1 154.68 0.09 OUTLIER Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 124.373 1.069 . . . . 0.0 112.76 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.63 -39.96 4.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.653 2.235 . . . . 0.0 112.128 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.6 -48.4 72.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.705 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.557 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 17.2 mt -66.64 -32.56 73.96 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.77 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.38 -53.36 57.17 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.5 -48.86 78.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.995 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 tp -59.8 -28.7 67.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.562 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mp -67.27 -30.83 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.406 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -75.75 -49.58 17.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.963 0.411 . . . . 0.0 110.449 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -73.35 -35.72 66.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.747 -173.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 58.67 -157.35 0.32 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.621 0.368 . . . . 0.0 110.998 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 69.24 16.54 8.45 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.122 0.569 . . . . 0.0 111.336 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 p -111.06 6.16 20.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.428 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 t70 58.41 43.83 19.16 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.794 0.806 . . . . 0.0 110.203 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.546 ' HB ' HG13 ' A' ' 81' ' ' VAL . 7.5 p . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.954 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 121.18 0.514 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -68.31 -27.34 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.025 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.455 HD11 ' HE2' ' A' ' 40' ' ' LYS . 92.0 mt -102.19 -77.53 0.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.662 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.725 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 61.5 t30 -167.49 105.29 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -52.02 -54.23 32.4 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -164.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.0 10.76 38.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -168.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.463 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 29.7 m80 -139.04 -22.94 0.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.175 -0.61 . . . . 0.0 112.597 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.725 ' HD1' ' HB3' ' A' ' 74' ' ' ASN . 91.8 m95 -115.49 125.02 52.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.878 0.37 . . . . 0.0 110.131 173.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.5 p -125.39 139.02 54.02 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.04 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.1 m -102.05 114.21 28.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.546 HG13 ' HB ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.69 133.33 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.584 ' HE2' ' HB2' ' A' ' 45' ' ' ARG . 31.2 m-85 -88.07 115.42 25.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.034 0.445 . . . . 0.0 112.041 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.647 HD22 HG12 ' A' ' 92' ' ' ILE . 94.2 mt -69.25 -31.72 70.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.692 175.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.433 ' OD2' ' HD3' ' A' ' 45' ' ' ARG . 32.4 t70 -85.03 77.16 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.897 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.05 -63.22 0.62 Allowed Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.877 175.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.7 m -69.62 -50.55 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.801 0.334 . . . . 0.0 111.877 -174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.434 HD21 ' CG1' ' A' ' 81' ' ' VAL . 3.6 mm? -93.18 135.19 25.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.242 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.466 ' HD2' ' HG3' ' A' ' 91' ' ' GLN . 16.9 Cg_exo -68.64 149.15 73.48 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.529 2.153 . . . . 0.0 110.581 168.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.41 -28.74 65.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.152 0.501 . . . . 0.0 111.547 -176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 p -69.59 -30.04 67.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.902 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.466 ' HG3' ' HD2' ' A' ' 88' ' ' PRO . 78.3 mm-40 -70.69 -31.72 68.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.412 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.647 HG12 HD22 ' A' ' 83' ' ' LEU . 51.6 mt -53.55 -40.29 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.623 -175.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -56.79 -48.87 76.94 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 111.206 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -73.03 -35.84 66.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.97 -173.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.3 mt -58.18 -45.42 87.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.967 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.55 -43.66 77.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.26 -41.01 97.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.394 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.02 -41.79 73.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.352 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.484 ' HB2' HD23 ' A' ' 50' ' ' LEU . 8.4 t -68.87 -28.3 66.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.15 0.5 . . . . 0.0 109.924 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.457 ' O ' HG23 ' A' ' 104' ' ' VAL . 58.9 t80 -72.08 -36.76 69.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.272 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -54.07 50.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.193 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.466 ' OE1' ' HA ' ' A' ' 53' ' ' SER . 10.0 pt20 -60.11 -32.88 71.4 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -65.16 -42.5 93.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.968 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 100' ' ' TYR . 57.3 t -63.12 -36.27 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -68.92 -16.43 63.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.781 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 97.1 mt -97.83 -7.46 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 92.3 mt -84.3 148.33 52.54 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.066 -176.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 111' ' ' LYS . 25.7 Cg_endo -62.14 163.29 20.3 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.065 2.51 . . . . 0.0 112.772 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.4 tp10 -57.53 -46.79 83.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.525 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -58.54 -44.5 89.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.385 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 0.5 OUTLIER -74.07 -34.84 64.17 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.354 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 112' ' ' ARG . 45.6 mtp180 -59.52 -33.99 72.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.631 0.253 . . . . 0.0 110.96 178.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 74.8 mmtt -63.81 -38.54 91.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.152 0.501 . . . . 0.0 110.642 177.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 70.3 mt -70.74 -39.94 73.04 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.502 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 65.6 mt -60.29 -34.39 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.84 -37.97 70.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.923 0.392 . . . . 0.0 110.401 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -46.18 84.39 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.387 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.9 mt . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.183 -174.828 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.689 0.281 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 p -98.42 168.31 10.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.802 0.334 . . . . 0.0 111.179 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 63.6 mt -61.62 -42.14 93.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.47 -177.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 p -62.96 -39.56 95.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.564 -176.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.57 -40.64 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.05 0.452 . . . . 0.0 110.358 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.773 HD11 HG21 ' A' ' 96' ' ' VAL . 31.8 tp -65.13 -44.49 88.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.204 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 87.8 mt -62.05 -38.04 87.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.968 178.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -62.36 -43.1 99.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.903 0.382 . . . . 0.0 110.384 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -65.44 -34.09 77.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.845 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.16 -26.08 61.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.435 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 1.4 mmt -76.66 -12.71 60.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 110.708 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.65 7.33 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.27 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 75.2 mmtt -109.81 107.11 58.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.655 177.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 15.4 Cg_endo -57.78 132.47 50.18 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.692 2.261 . . . . 0.0 112.208 -178.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.01 -27.37 19.74 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.025 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.61 131.61 37.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.91 0.386 . . . . 0.0 110.663 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -122.29 150.91 41.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.77 122.08 32.52 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.674 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 m -121.91 104.56 9.63 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.4 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -98.87 120.77 48.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.319 0.58 . . . . 0.0 110.466 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.408 ' C ' ' H ' ' A' ' 23' ' ' ASP . 47.3 m-70 -116.05 137.11 52.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.773 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -71.96 16.21 0.13 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 21' ' ' HIS . 19.2 t70 -61.76 -58.4 8.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.383 0.611 . . . . 0.0 109.731 172.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -121.85 2.79 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.877 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt 60.97 23.88 14.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.396 -169.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -86.85 157.16 19.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.72 -177.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 m -91.82 117.37 29.71 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.604 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -100.39 121.05 40.89 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.9 mt -103.6 115.39 45.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.3 -175.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -129.45 158.39 39.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.324 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.725 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -88.39 -134.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.482 ' HG3' ' HG2' ' A' ' 111' ' ' LYS . 5.8 mm-40 -55.6 -67.15 0.31 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.107 0.48 . . . . 0.0 110.458 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -134.56 5.49 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.722 0.772 . . . . 0.0 109.878 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 47.1 t -97.47 107.92 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.871 -176.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt -95.89 105.91 17.99 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 173.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -94.04 -34.87 12.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.595 -176.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.68 139.44 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.82 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -136.86 133.73 36.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.919 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.539 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 13.2 m -85.0 98.17 6.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.458 0.647 . . . . 0.0 111.074 -177.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -93.33 104.92 17.05 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.553 ' OE2' ' HA ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -88.44 136.87 32.78 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.326 -172.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.504 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.6 p -134.19 121.53 38.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.498 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HG3' HG22 ' A' ' 42' ' ' VAL . 43.0 mt-10 63.28 29.54 15.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.12 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.553 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 61.7 t30 66.86 22.64 10.16 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.757 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.52 ' HD2' ' HB2' ' A' ' 84' ' ' ASP . 23.9 mmt180 -99.58 127.67 33.52 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.371 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.35 109.92 0.81 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.7 2.267 . . . . 0.0 112.155 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.06 125.22 20.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.23 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.527 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 6.4 p -116.48 128.9 73.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.971 0.415 . . . . 0.0 110.627 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 20.3 m -96.85 113.96 25.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.635 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.74 153.34 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.882 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 51' ' ' LYS . 1.8 ttpm? -93.4 27.63 2.51 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 175.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 m 73.07 126.88 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.951 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.557 ' H ' ' HB3' ' A' ' 56' ' ' LEU . 49.3 m -120.64 162.5 34.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.194 177.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.43 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . 60.6 Cg_exo -52.04 -64.13 0.21 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 122.555 2.17 . . . . 0.0 113.068 -177.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' OE1' ' HB2' ' A' ' 54' ' ' PRO . 3.4 mp0 -62.83 -29.91 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.205 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.557 ' HB3' ' H ' ' A' ' 53' ' ' SER . 3.4 tm? -63.25 -43.7 97.28 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.53 81.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.477 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.7 -51.8 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.642 0.734 . . . . 0.0 109.302 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' A' ' 64' ' ' HIS . 48.8 tp -59.05 -38.2 78.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.231 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.1 tp -66.52 -39.91 88.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.454 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -68.03 -49.25 62.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.31 -16.48 39.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.353 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 55.29 55.7 7.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.615 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.522 ' HB2' HD12 ' A' ' 59' ' ' LEU . 24.6 m80 -78.37 -12.04 59.98 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.415 0.626 . . . . 0.0 109.932 175.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.9 m -148.16 136.67 21.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.344 173.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.07 114.09 19.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.169 0.509 . . . . 0.0 111.392 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 81' ' ' VAL . 11.2 p . . . . . 0 C--N 1.32 -0.696 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.094 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -66.65 -22.06 66.1 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.403 0.44 . . . . 0.0 111.232 -175.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.7 mt -66.99 -77.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.365 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -163.26 95.17 0.84 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -22.42 65.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.027 -176.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.36 4.91 41.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -174.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -145.67 -40.69 0.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.344 . . . . 0.0 111.009 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -100.25 135.02 42.32 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 m -124.95 126.45 45.5 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.057 0.456 . . . . 0.0 109.805 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 50.5 m -105.14 122.49 46.02 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.176 -177.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.533 ' HA ' HG23 ' A' ' 67' ' ' VAL . 48.0 t -85.67 111.39 20.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.867 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -88.47 98.17 11.48 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.69 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.98 36.95 2.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.076 0.465 . . . . 0.0 110.751 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.52 ' HB2' ' HD2' ' A' ' 45' ' ' ARG . 4.8 p-10 -78.18 -27.36 47.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.083 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -151.4 27.08 0.97 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.998 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.6 t -165.84 -167.92 1.19 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.428 ' HG ' ' CG1' ' A' ' 81' ' ' VAL . 3.7 mm? 62.94 98.02 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.282 0 O-C-N 123.773 0.671 . . . . 0.0 111.648 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.0 153.18 65.86 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.705 2.27 . . . . 0.0 112.004 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.55 -46.55 86.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.527 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.3 m -63.32 -31.1 72.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.112 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.492 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 6.5 tp60 -68.79 -44.83 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.45 -43.51 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.056 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -50.32 -43.9 53.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.213 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -68.26 -43.45 77.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.322 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 97.1 mt -72.16 -39.52 68.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -174.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.773 HG21 HD11 ' A' ' 6' ' ' LEU . 92.3 t -63.53 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.327 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -32.12 72.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.74 70.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.349 0.595 . . . . 0.0 110.342 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 18.1 m -73.94 -34.49 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.344 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.422 ' O ' HG23 ' A' ' 104' ' ' VAL . 66.4 t80 -73.34 -35.84 66.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.119 174.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -53.49 -52.44 59.55 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.138 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.446 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 8.7 pt20 -60.69 -33.73 73.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -65.18 -40.28 94.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.65 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 100' ' ' TYR . 52.2 t -64.76 -31.09 52.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.243 0.544 . . . . 0.0 110.702 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -76.86 -24.43 52.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 97.7 mt -86.39 -13.24 46.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.725 HD11 HG11 ' A' ' 31' ' ' VAL . 93.2 mt -82.93 136.14 44.56 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.649 178.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.595 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 23.8 Cg_exo -64.81 170.94 9.3 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.845 2.364 . . . . 0.0 112.267 177.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 6.3 tp10 -55.38 -45.76 76.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.986 -177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -48.09 -49.96 29.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.625 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.595 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 4.3 mptp? -68.67 -47.08 67.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.556 -177.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 116' ' ' VAL . 35.8 mtp85 -59.26 -39.43 82.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.879 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.808 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 9.8 mmpt? -60.61 -34.59 74.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 111.271 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.43 -43.51 66.6 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.77 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 81.3 mt -62.94 -27.81 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.827 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 112' ' ' ARG . 87.1 t -59.66 -38.25 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 111.285 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -75.41 -28.15 59.3 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.606 -0.711 . . . . 0.0 111.316 -174.563 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.692 0.282 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.0 162.97 16.93 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mm -57.77 -36.9 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.302 . . . . 0.0 110.99 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 m -60.07 -53.87 52.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.688 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.38 -41.09 96.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.738 0.304 . . . . 0.0 110.701 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.63 -49.85 75.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.041 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.36 -47.37 86.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.218 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.64 -41.6 95.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.051 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -64.28 -42.13 96.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.028 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.8 m -61.67 -46.81 88.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.208 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.8 ttt -71.12 -19.27 62.47 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.061 0.458 . . . . 0.0 110.824 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.67 -12.59 59.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 11.2 mmmm -88.87 121.72 69.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_exo -52.53 130.17 35.26 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.207 2.605 . . . . 0.0 113.272 -174.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 104.82 -10.97 49.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.945 175.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.21 104.64 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.955 0.407 . . . . 0.0 111.764 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.63 124.89 50.28 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 173.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -91.95 120.69 32.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.055 0.455 . . . . 0.0 111.878 -173.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 m -116.88 117.29 29.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.502 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -93.7 121.49 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.676 0.751 . . . . 0.0 112.229 -175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 49.3 t-80 -85.91 122.9 30.62 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 170.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' CG ' ' H ' ' A' ' 23' ' ' ASP . 53.3 t30 -74.33 -152.7 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.461 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 22.6 t70 74.58 -68.88 0.2 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.255 0.622 . . . . 0.0 111.044 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -113.53 2.13 15.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.217 177.457 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 64.5 87.97 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.641 0.734 . . . . 0.0 110.758 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.753 ' HB1' ' HG2' ' A' ' 40' ' ' LYS . . . -124.47 107.36 11.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.404 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 38' ' ' MET . 19.4 m -83.28 116.31 22.37 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.49 ' HB3' HD13 ' A' ' 35' ' ' LEU . 77.6 mt-30 -91.48 120.39 32.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.095 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.5 mt -91.17 107.83 19.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HD2' ' HA ' ' A' ' 33' ' ' ASP . 23.8 ttpt -140.29 145.4 37.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.039 -168.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.517 HG22 ' HB ' ' A' ' 34' ' ' VAL . 16.1 m -79.89 -137.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 171.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -52.02 -59.8 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 110.326 174.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.542 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 16.9 t70 -159.74 73.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.152 0.501 . . . . 0.0 110.21 170.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.525 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 95.0 t -148.4 116.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.053 176.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 38' ' ' MET . 38.1 tp -97.83 108.99 21.83 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -106.89 -22.58 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.512 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 49' ' ' SER . . . -163.79 145.08 8.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.235 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.573 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -157.74 138.43 13.04 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.01 0.433 . . . . 0.0 111.448 178.329 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -90.2 135.26 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.813 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.753 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 22.0 mtmm -139.8 148.12 41.73 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -176.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 18.3 tt0 -99.08 110.22 22.84 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.436 HG22 ' HG3' ' A' ' 43' ' ' GLU . 3.8 p -142.97 142.48 26.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 42' ' ' VAL . 54.2 mt-10 62.07 26.23 15.78 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -172.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.0 t30 55.08 36.34 26.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.929 -174.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 7.5 ttt85 -137.85 135.67 19.1 Favored Pre-proline 0 N--CA 1.449 -0.514 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.086 -175.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 16.8 Cg_exo -67.25 111.35 2.24 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.573 2.182 . . . . 0.0 111.376 177.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . . . -125.42 132.81 52.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.21 0.529 . . . . 0.0 112.011 -176.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.45 134.39 58.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 23.6 m -118.73 136.93 53.69 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.877 -176.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.31 143.89 32.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.37 140.97 56.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 169.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.3 m -41.5 104.93 0.04 OUTLIER 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.821 0.701 . . . . 0.0 112.498 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.588 ' HB3' HD23 ' A' ' 56' ' ' LEU . 33.0 t -108.54 145.41 31.54 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.182 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -51.61 -58.83 1.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.921 2.414 . . . . 0.0 112.436 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.0 -30.37 70.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.318 -175.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' ' 53' ' ' SER . 4.4 mm? -67.93 -43.28 79.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 110.478 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -71.01 -33.5 70.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 0.0 110.548 177.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -43.81 95.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.651 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.02 -40.49 93.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.673 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 57' ' ' ALA . 84.4 mt -60.87 -30.5 70.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.925 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.458 ' HA ' ' HD3' ' A' ' 61' ' ' ARG . 18.2 mmt180 -76.25 -30.92 58.05 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -176.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.03 -48.75 6.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.723 0.297 . . . . 0.0 111.356 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -92.91 155.89 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.454 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -161.94 3.73 0.05 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 p -122.24 15.74 10.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.075 0.464 . . . . 0.0 111.108 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.12 -61.39 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.346 -177.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.357 0.599 . . . . 0.0 110.464 175.584 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 71' ' ' ARG . 13.3 ttm180 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -96.61 -15.71 21.39 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.67 -77.67 0.04 OUTLIER 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.657 0.265 . . . . 0.0 110.788 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -164.31 143.41 7.44 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -87.12 -40.39 14.69 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.38 -28.3 5.03 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -170.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -73.71 -19.18 60.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.917 0.389 . . . . 0.0 110.247 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -137.81 161.04 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.068 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 49' ' ' SER . 11.9 m -125.66 125.71 43.52 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 170.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.1 m -116.44 116.84 28.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.027 0.441 . . . . 0.0 112.126 -168.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.5 t -104.42 119.45 53.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.901 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 86.9 m-85 -88.19 135.59 33.37 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.0 mt -79.69 76.46 6.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.111 0.481 . . . . 0.0 110.706 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.38 -89.52 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.857 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.6 38.15 0.62 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.96 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.3 t -145.8 -168.77 3.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 3.9 mm? 57.55 91.58 0.07 OUTLIER Pre-proline 0 CA--C 1.527 0.085 0 O-C-N 123.829 0.706 . . . . 0.0 110.998 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.458 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 19.1 Cg_endo -58.74 158.48 24.06 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.643 2.228 . . . . 0.0 112.622 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.477 ' HA ' HD12 ' A' ' 92' ' ' ILE . 2.2 m-20 -52.17 -33.88 42.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.371 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 p -58.31 -46.67 85.73 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.378 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.488 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.4 mm-40 -66.98 -34.11 77.04 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.934 0.397 . . . . 0.0 110.5 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 89' ' ' ASP . 68.4 mt -62.67 -38.35 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.704 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -58.24 -46.08 86.6 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -58.86 -49.82 76.31 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.679 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 96.3 mt -53.3 -48.25 68.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.678 -176.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -74.07 -43.11 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -74.44 -37.42 63.28 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.086 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.95 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.623 0.249 . . . . 0.0 111.265 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.0 p -66.85 -35.41 79.98 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 104' ' ' VAL . 51.6 t80 -61.54 -47.05 87.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.423 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -34.7 73.13 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.113 176.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.474 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 46.9 mt-30 -58.02 -37.33 74.12 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.156 0.285 . . . . 0.0 110.74 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.497 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -75.96 -44.91 37.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.745 0.307 . . . . 0.0 110.747 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 100' ' ' TYR . 95.7 t -55.85 -44.55 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.338 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.12 -16.35 59.21 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.248 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 71.1 mt -86.42 -18.43 31.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.674 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.654 ' HB3' ' HB3' ' A' ' 111' ' ' LYS . 91.7 mt -76.74 140.67 67.76 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.61 ' HD2' ' HB2' ' A' ' 111' ' ' LYS . 8.2 Cg_exo -72.96 175.89 9.81 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.005 2.47 . . . . 0.0 112.469 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -51.74 -52.97 44.59 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.857 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.93 -45.98 78.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.237 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -64.7 -38.97 92.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.274 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 116' ' ' VAL . 69.1 mtp180 -70.82 -27.06 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.37 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 36.0 mmtm -62.47 -37.75 87.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.846 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 87.3 mt -61.49 -41.18 96.89 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.755 177.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 107' ' ' LEU . 75.0 mt -65.51 -27.22 68.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.225 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 112' ' ' ARG . 64.0 t -79.69 -36.46 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.601 178.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -72.3 -40.5 67.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.233 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 96.8 mt . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.626 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.8 p -82.32 145.44 29.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.053 0.454 . . . . 0.0 111.897 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.403 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 42.4 mm -65.47 -28.3 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.299 -177.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 t -57.44 -40.75 79.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.025 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -67.06 -40.01 87.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.476 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.88 -47.32 81.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.062 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 92.2 mt -60.26 -43.83 95.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.315 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -66.53 -34.51 78.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.861 0.363 . . . . 0.0 110.556 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.76 -32.52 74.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.3 m -72.64 -40.18 66.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.387 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.42 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 2.3 mmt -67.28 -20.07 65.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.34 -7.1 56.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.021 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -93.98 114.39 63.04 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.693 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.2 105.87 0.75 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.725 2.283 . . . . 0.0 112.846 -176.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.4 -21.42 5.72 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.402 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.73 130.08 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.17 0.509 . . . . 0.0 111.595 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.1 124.67 46.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.397 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -105.99 120.61 42.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.967 0.413 . . . . 0.0 110.764 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -121.79 117.17 25.9 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.581 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 5.1 p -81.96 132.15 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.476 . . . . 0.0 110.349 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 117.46 29.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.747 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -60.95 -29.87 69.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.217 0.323 . . . . 0.0 111.559 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -80.41 -4.13 52.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.786 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -130.82 -17.33 3.19 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 60.66 29.09 18.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.464 0.65 . . . . 0.0 110.195 -174.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' A' ' 40' ' ' LYS . . . -122.74 151.6 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.777 -175.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 26.0 m -98.48 118.27 34.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.206 0.527 . . . . 0.0 111.654 -174.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 27.0 mt-30 -100.08 128.7 46.12 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.9 mt -104.2 116.59 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.994 -171.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 33' ' ' ASP . 7.3 ptpt -120.83 169.67 10.21 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.224 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.795 HG11 HD11 ' A' ' 107' ' ' LEU . 2.3 t -89.75 -133.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 168.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.81 88.26 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.064 0.459 . . . . 0.0 109.994 172.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 32.5 t70 -154.62 -14.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.91 172.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.29 118.06 16.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.877 0.37 . . . . 0.0 110.989 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.9 tp -91.4 112.38 24.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.948 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -100.56 -45.34 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.413 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.34 162.89 39.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.675 0.274 . . . . 0.0 110.598 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.456 ' SD ' ' HD2' ' A' ' 40' ' ' LYS . 21.3 ptt? -156.73 130.89 8.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.714 0.292 . . . . 0.0 111.158 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 5.5 p -90.41 116.86 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.733 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 40.0 mtpt -138.96 111.23 7.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.824 0.345 . . . . 0.0 110.642 -173.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -75.75 112.7 12.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.21 0.529 . . . . 0.0 110.541 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.69 132.01 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 68.51 23.27 7.43 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.268 0.556 . . . . 0.0 109.627 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 t30 61.46 29.18 18.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.977 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -114.11 114.0 46.23 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.778 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.627 ' HD2' ' HB2' ' A' ' 84' ' ' ASP . 50.1 Cg_exo -54.02 122.58 11.66 Favored 'Trans proline' 0 C--O 1.239 0.532 0 C-N-CA 123.27 2.647 . . . . 0.0 112.787 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.481 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -163.33 141.46 7.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.174 0.511 . . . . 0.0 111.701 -176.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 7.7 p -115.03 135.2 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.285 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 m -102.83 116.13 31.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.978 0.418 . . . . 0.0 111.253 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 50' ' ' LEU . 5.9 mp -103.37 165.44 11.03 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 174.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.09 -171.57 3.03 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 171.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.7 m -61.29 98.0 0.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.374 0.607 . . . . 0.0 111.484 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.5 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . 22.6 t -110.24 140.79 22.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.382 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.42 -65.75 0.14 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 123.456 2.77 . . . . 0.0 113.665 -173.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.27 -30.5 70.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.571 0.224 . . . . 0.0 111.597 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 4.2 mm? -67.52 -50.53 58.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 0.0 110.497 177.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.26 -43.23 87.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.01 -39.93 72.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.55 -52.25 64.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.801 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.7 -29.16 62.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.64 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -65.26 -43.48 91.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.809 0.337 . . . . 0.0 110.733 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -85.67 -49.33 8.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.787 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -106.15 89.6 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.176 0.512 . . . . 0.0 110.724 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -87.57 77.19 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.077 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -145.6 156.39 43.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.927 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.0 t70 74.43 -55.63 0.65 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.079 0.952 . . . . 0.0 112.901 171.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.329 -0.324 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.376 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.072 0.463 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.672 ' HE1' HG21 ' A' ' 80' ' ' THR . 21.1 m80 -96.51 -49.38 5.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.213 0.53 . . . . 0.0 109.657 170.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.412 HD12 ' HB3' ' A' ' 72' ' ' HIS . 5.2 mp -143.48 -62.7 0.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.582 175.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.675 HD21 ' HB2' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -108.78 156.32 19.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.332 176.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -82.92 -32.09 27.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.101 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.94 94.7 2.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.113 0.482 . . . . 0.0 111.952 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.446 ' HB3' ' OD1' ' A' ' 74' ' ' ASN . 11.4 t-80 -177.67 -56.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 172.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.675 ' HB2' HD21 ' A' ' 74' ' ' ASN . 55.3 m95 -80.06 150.66 30.25 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 161.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -125.95 126.2 43.96 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.672 HG21 ' HE1' ' A' ' 72' ' ' HIS . 54.0 m -109.93 124.34 51.21 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.233 0.54 . . . . 0.0 111.404 -174.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.42 108.52 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.448 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -64.67 102.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.734 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.73 -22.55 66.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.322 0.582 . . . . 0.0 109.84 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.627 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 12.5 t70 -58.72 -27.64 65.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.36 174.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.44 -12.02 60.54 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.448 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.7 m 67.56 86.91 0.13 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.281 0.563 . . . . 0.0 111.208 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.58 152.15 38.35 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.685 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.57 144.56 41.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.677 2.251 . . . . 0.0 112.165 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -60.39 -33.18 72.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.274 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.0 m -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.518 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.494 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 15.3 mm-40 -66.48 -34.7 78.52 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.888 0.375 . . . . 0.0 110.941 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.87 -39.46 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -57.14 -42.97 81.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.204 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -67.61 -51.21 52.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.979 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 91.6 mt -53.56 -47.31 70.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.953 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.7 t -72.62 -47.8 49.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.392 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -68.12 -44.25 76.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.485 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.39 90.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.934 0.397 . . . . 0.0 111.305 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.9 m -69.14 -39.0 79.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.447 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.511 ' O ' HG23 ' A' ' 104' ' ' VAL . 41.8 t80 -71.6 -38.5 70.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -42.9 79.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.195 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.496 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 54.7 mt-30 -59.0 -42.07 89.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.8 79.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.124 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 100' ' ' TYR . 94.6 t -61.81 -39.49 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.3 -16.87 61.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.901 0.381 . . . . 0.0 111.058 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 91.8 mt -84.19 -11.41 56.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 0.0 110.601 177.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.795 HD11 HG11 ' A' ' 31' ' ' VAL . 98.1 mt -93.78 145.81 30.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.766 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 16.4 Cg_exo -68.28 155.61 68.7 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 123.004 2.47 . . . . 0.0 112.328 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 6.2 tp10 -49.1 -55.37 12.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.643 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -49.27 -50.21 39.93 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.902 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.21 -41.82 99.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.453 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 116' ' ' VAL . 21.8 mtm180 -64.87 -37.71 88.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 43.5 mtpt -65.14 -30.61 71.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.837 0.351 . . . . 0.0 110.778 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.03 -41.01 91.49 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.258 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.46 -30.57 71.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.886 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 112' ' ' ARG . 60.0 t -62.82 -29.28 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.227 0.537 . . . . 0.0 111.065 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -73.96 -25.76 60.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.711 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.877 -178.719 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.404 ' HE2' ' HA ' ' A' ' 89' ' ' ASP . 50.2 ttp . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -116.49 171.18 8.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.918 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 39' ' ' VAL . 18.2 tt -70.44 -21.63 23.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.136 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -58.23 -35.52 71.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 0.0 110.666 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -73.32 -30.57 63.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.522 ' HG ' HG22 ' A' ' 92' ' ' ILE . 2.9 mm? -73.7 -30.92 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.598 176.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -43.81 78.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.102 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -63.05 -33.27 75.08 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -73.12 -32.74 65.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.986 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.4 m -60.37 -33.11 71.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.009 0.433 . . . . 0.0 110.759 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.4 mmt -76.53 -7.8 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.77 -12.11 49.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.971 0.415 . . . . 0.0 110.33 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -86.29 118.33 70.17 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.804 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.31 137.43 40.03 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.521 2.147 . . . . 0.0 112.186 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.28 -21.39 38.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.757 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.91 115.22 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.698 0.285 . . . . 0.0 110.785 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -119.79 165.32 14.72 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.283 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.567 ' HG2' HG12 ' A' ' 29' ' ' ILE . 20.0 mt-30 -107.99 142.25 38.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.8 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -131.54 127.45 37.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.753 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.1 p -104.51 140.63 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.864 0.364 . . . . 0.0 110.449 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -119.36 136.23 54.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -77.14 95.96 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.164 -173.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -168.87 -69.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.53 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -92.53 -8.83 43.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.839 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.6 tttt 62.93 25.4 15.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 122.045 0.926 . . . . 0.0 108.951 -170.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.71 136.97 56.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.094 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.8 m -98.0 117.13 31.65 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -108.77 115.74 30.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.472 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.567 HG12 ' HG2' ' A' ' 18' ' ' GLN . 31.7 mt -95.48 119.36 43.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.808 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -142.28 169.1 18.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.046 0.451 . . . . 0.0 110.987 -175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.51 -133.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -52.39 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.909 0.385 . . . . 0.0 110.217 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -142.2 14.0 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.289 0.566 . . . . 0.0 109.591 170.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.0 t -88.72 104.05 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.39 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.61 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 55.5 tp -84.64 127.54 34.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.082 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -118.06 -26.27 6.44 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.563 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.4 145.71 19.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.904 0.383 . . . . 0.0 111.162 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -149.31 137.44 20.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.255 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 HD13 ' A' ' 3' ' ' ILE . 8.3 p -111.74 140.2 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.086 0.469 . . . . 0.0 111.434 -174.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HE2' ' HB2' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -141.8 134.28 28.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.452 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.56 111.04 19.16 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.474 170.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG22 ' HG2' ' A' ' 43' ' ' GLU . 7.7 p -126.26 133.47 68.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.534 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.557 ' HG2' HG22 ' A' ' 42' ' ' VAL . 30.6 mm-40 62.44 19.91 11.5 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.401 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 68.08 29.27 6.37 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.816 -175.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -119.04 130.72 24.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.526 172.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.4 107.76 1.66 Allowed 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.331 2.02 . . . . 0.0 111.047 174.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 80' ' ' THR . . . -122.59 126.6 48.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.129 0.49 . . . . 0.0 111.466 -174.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -115.08 138.45 45.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 79' ' ' SER . 2.7 p -110.71 122.65 48.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.886 0.374 . . . . 0.0 111.224 -178.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.11 160.33 14.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.947 176.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.61 ' HE3' ' O ' ' A' ' 35' ' ' LEU . 94.9 mttt -70.08 -61.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 170.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.9 t -174.74 156.21 2.27 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.15 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.662 ' HB2' HD23 ' A' ' 56' ' ' LEU . 44.8 m -155.08 146.46 16.78 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 176.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.53 -48.16 22.65 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.759 2.306 . . . . 0.0 112.739 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.8 mt-10 -75.25 -29.87 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.385 -178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -64.96 -46.59 80.9 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.683 0.278 . . . . 0.0 110.535 176.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.44 70.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.069 0.461 . . . . 0.0 110.555 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.27 -51.67 65.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.867 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 92.8 mt -54.97 -40.19 69.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.511 178.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.9 mt -61.47 -30.25 70.48 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 111.406 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -77.1 -32.88 56.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -91.8 -76.56 0.45 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -69.8 144.07 52.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -155.75 20.02 0.39 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.834 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 p -101.58 -51.63 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.942 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.67 -61.87 1.55 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.325 177.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 120.998 0.428 . . . . 0.0 110.71 176.258 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.691 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 121.265 0.555 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 11.0 t-80 -68.63 -16.14 63.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.727 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.43 -179.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 110.992 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -74.22 92.85 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -69.81 -24.08 63.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.28 19.56 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.403 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -147.44 -32.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.108 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -120.15 149.45 42.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' SER . 15.5 m -125.83 126.17 44.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.982 0.42 . . . . 0.0 109.954 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.404 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 96.2 m -110.39 118.28 35.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.3 -178.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 t -105.08 129.13 58.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.505 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.485 ' HE1' HG13 ' A' ' 42' ' ' VAL . 98.8 m-85 -86.0 111.27 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.91 176.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.526 HD22 HG12 ' A' ' 92' ' ' ILE . 92.7 mt -96.76 48.82 1.07 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.018 0.437 . . . . 0.0 111.025 -175.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -100.22 68.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 0.0 110.673 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.72 -8.39 28.59 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.525 -0.761 . . . . 0.0 113.529 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 p -77.34 -46.49 22.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 87' ' ' LEU . 4.0 mm? -89.39 142.14 29.47 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.826 -177.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.466 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 60.2 Cg_endo -73.87 164.64 34.1 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.635 2.223 . . . . 0.0 112.263 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.404 ' HA ' ' HE2' ' A' ' 1' ' ' MET . 5.0 p-10 -52.9 -47.49 67.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.444 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m -62.37 -33.68 75.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.856 -172.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.608 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 15.8 mm100 -70.63 -39.44 73.68 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.835 0.35 . . . . 0.0 110.516 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.526 HG12 HD22 ' A' ' 83' ' ' LEU . 61.9 mt -65.89 -41.21 89.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.763 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -61.16 -43.16 99.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.411 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -58.6 -43.44 89.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.252 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 78.9 mt -55.46 -45.01 76.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.505 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -77.26 -50.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.525 -176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.12 -42.99 83.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.537 -173.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.0 -45.29 82.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.676 0.274 . . . . 0.0 111.544 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.3 m -61.37 -42.02 98.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 104' ' ' VAL . 76.2 t80 -65.92 -46.57 77.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.852 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -54.35 47.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -175.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 4.0 pt20 -63.14 -32.75 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -175.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.94 78.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 100' ' ' TYR . 93.9 t -66.56 -36.77 78.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.855 179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.23 -22.14 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 93.3 mt -87.26 -5.42 58.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.476 -176.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.49 148.96 56.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.065 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.486 ' HG2' ' HG2' ' A' ' 111' ' ' LYS . 41.7 Cg_endo -68.81 173.89 9.45 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 123.0 2.467 . . . . 0.0 113.687 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -49.66 -52.03 33.77 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.754 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -54.32 -52.94 59.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.373 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.486 ' HG2' ' HG2' ' A' ' 108' ' ' PRO . 29.4 mmmt -66.53 -50.67 62.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.007 -176.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.1 OUTLIER -49.91 -41.69 46.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.122 178.153 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -54.26 -51.99 62.8 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.454 0.471 . . . . 0.0 111.31 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.46 -41.07 98.49 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.143 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.411 HD13 HG13 ' A' ' 104' ' ' VAL . 92.1 mt -64.49 -26.19 68.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.537 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 112' ' ' ARG . 94.3 t -77.93 -38.82 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.605 0.24 . . . . 0.0 110.436 177.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.68 -48.59 78.64 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.796 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.769 -0.634 . . . . 0.0 111.171 -173.849 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 121.048 0.451 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.1 158.15 15.59 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.126 -175.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' A' ' 46' ' ' PRO . 40.7 mm -61.87 -35.39 67.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.225 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 m -57.1 -39.48 75.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.061 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -69.88 -43.34 72.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.448 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.33 -39.34 92.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.055 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.78 -51.1 70.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.094 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -63.88 -31.52 72.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.851 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -64.02 -35.69 81.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.262 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.2 m -73.26 -37.23 66.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -9.18 58.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.89 -3.75 58.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.052 0.453 . . . . 0.0 110.436 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 69.3 mmtt -100.13 123.1 48.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.96 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 22.5 Cg_exo -64.89 130.0 24.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.282 . . . . 0.0 112.384 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.88 -16.43 58.5 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.085 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.07 139.53 30.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -144.01 165.41 27.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.311 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -90.08 149.58 22.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.294 0.569 . . . . 0.0 111.874 -174.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.685 ' HB2' ' HB2' ' A' ' 28' ' ' GLN . 37.6 m -145.58 160.32 41.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.676 172.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 12.6 p -150.78 149.26 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.05 0.453 . . . . 0.0 111.408 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -135.73 143.69 45.48 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.83 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -81.95 116.51 21.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.218 0.532 . . . . 0.0 112.071 -174.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 179.63 -65.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.363 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -128.51 20.26 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.17 176.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.8 tttt 52.29 74.45 0.27 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.752 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' A' ' 20' ' ' VAL . . . -95.49 107.17 19.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.538 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -80.93 116.05 20.71 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.685 ' HB2' ' HB2' ' A' ' 19' ' ' SER . 46.4 mt-30 -106.54 137.86 43.77 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 -171.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.8 mt -112.42 109.73 29.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.396 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -139.01 164.82 28.74 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.899 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -92.9 -132.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -41.1 -69.26 0.14 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.215 0.531 . . . . 0.0 110.485 173.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -148.35 11.76 0.91 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.631 0.729 . . . . 0.0 109.519 171.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.8 t -82.7 100.79 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.166 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.4 tp -88.4 124.69 34.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.669 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 16.8 p90 -115.4 -30.07 6.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.626 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.27 150.03 19.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.976 0.417 . . . . 0.0 111.267 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.16 144.47 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 175.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 11.2 p -108.15 135.9 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.311 0.577 . . . . 0.0 111.119 -176.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -128.57 160.24 33.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.456 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.58 111.56 17.82 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.496 HG22 ' HG2' ' A' ' 43' ' ' GLU . 11.9 p -144.0 143.82 23.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.015 -175.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HG2' HG22 ' A' ' 42' ' ' VAL . 41.4 mm-40 62.57 24.32 14.47 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.813 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 69.2 22.92 6.55 Favored 'General case' 0 CA--C 1.519 -0.214 0 O-C-N 123.979 0.799 . . . . 0.0 110.429 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 48.6 mtt85 -135.44 131.67 19.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 12.7 Cg_exo -70.48 126.83 13.25 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.649 2.233 . . . . 0.0 111.316 175.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.21 139.87 46.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.704 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.37 142.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.542 ' HA ' ' O ' ' A' ' 79' ' ' SER . 50.1 m -111.68 124.75 52.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.152 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.01 160.38 17.53 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -91.16 136.28 33.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.42 98.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.462 0.648 . . . . 0.0 112.565 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.7 ' HB2' HD23 ' A' ' 56' ' ' LEU . 6.4 m -92.54 166.35 17.15 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.087 176.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 53' ' ' SER . 91.0 Cg_exo -42.83 -55.31 2.8 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.125 2.55 . . . . 0.0 113.563 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -77.6 -40.43 42.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.654 0.264 . . . . 0.0 111.174 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.7 HD23 ' HB2' ' A' ' 53' ' ' SER . 3.8 mm? -62.99 -33.78 76.14 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.515 -177.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.12 -27.07 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 111.019 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -72.31 -39.38 68.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.052 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mp -54.55 -43.9 72.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.355 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.592 ' HA ' HG11 ' A' ' 67' ' ' VAL . 10.4 tt -69.03 -38.21 79.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.247 0.546 . . . . 0.0 110.223 177.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -61.81 -44.24 97.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.946 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -88.07 -50.18 6.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.894 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -98.29 104.93 17.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -175.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -89.55 0.49 56.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.647 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.5 m -97.19 -38.25 9.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -175.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.95 -26.3 34.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -171.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.592 HG11 ' HA ' ' A' ' 60' ' ' LEU . 12.0 p . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 121.302 0.572 . . . . 0.0 112.212 -171.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -95.19 -16.85 22.23 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mp -122.67 -55.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.095 0.474 . . . . 0.0 110.7 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.518 HD22 ' C ' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -128.84 -174.45 3.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.002 -175.167 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -82.72 -56.18 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 170.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.62 93.84 1.03 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.106 0.479 . . . . 0.0 111.501 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.464 ' HB2' ' OD1' ' A' ' 74' ' ' ASN . 66.1 m80 -139.31 -58.81 0.59 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -82.2 144.57 30.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 170.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 49' ' ' SER . 12.9 m -125.0 128.86 49.21 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.844 0.354 . . . . 0.0 110.555 -175.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.8 m -108.57 119.47 39.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.621 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.9 m -110.98 140.35 30.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.976 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -85.06 128.93 34.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.901 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.32 9.97 9.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -129.59 93.6 3.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.66 -43.91 1.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.674 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 m -95.83 129.36 43.09 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.462 HD22 ' HG2' ' A' ' 91' ' ' GLN . 72.4 mt 65.06 126.91 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.396 0 CA-C-O 121.495 0.664 . . . . 0.0 111.975 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 23.7 Cg_exo -65.0 161.76 35.46 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.609 2.206 . . . . 0.0 111.5 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -64.79 -20.1 66.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.463 -175.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -70.49 -35.24 73.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.077 0.465 . . . . 0.0 110.378 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.462 ' HG2' HD22 ' A' ' 87' ' ' LEU . 7.0 tp60 -70.35 -30.56 67.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.73 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.6 mt -54.74 -37.77 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.266 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -60.09 -45.45 92.9 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.974 0.416 . . . . 0.0 110.328 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -58.91 -44.41 91.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.964 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.42 -40.45 74.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.389 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.35 -50.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 0.2 OUTLIER -69.18 -41.91 76.54 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -173.657 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.84 92.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.821 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.669 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 19.0 m -64.89 -41.06 95.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.295 177.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.503 ' O ' HG23 ' A' ' 104' ' ' VAL . 59.3 t80 -66.54 -42.68 86.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.173 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 32.7 mm-40 -58.54 -43.85 89.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.576 0.227 . . . . 0.0 111.068 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -62.2 -42.67 99.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 177.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -60.7 -42.11 96.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.474 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 100' ' ' TYR . 99.7 t -60.12 -36.41 67.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -77.08 -16.73 59.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.02 -16.09 26.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.336 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 93.5 mt -75.13 135.78 73.16 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.479 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 17.4 Cg_exo -68.01 168.18 19.64 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.969 2.446 . . . . 0.0 112.709 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.535 ' HG3' ' HE2' ' A' ' 113' ' ' LYS . 7.8 tp10 -48.89 -52.56 23.74 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.917 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -52.6 -42.09 64.24 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.357 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 111' ' ' LYS . 4.5 mptp? -72.4 -44.7 62.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.108 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 112' ' ' ARG . 49.6 mtp180 -59.93 -31.95 70.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.849 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.535 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 59.2 mmtt -60.54 -44.6 95.93 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.149 0.499 . . . . 0.0 110.377 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 83.8 mt -63.35 -39.57 94.9 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.127 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.77 -29.39 66.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.222 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.09 -33.41 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.069 0.462 . . . . 0.0 110.711 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.43 -37.23 68.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.972 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 96.9 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.581 -0.723 . . . . 0.0 111.481 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.577 ' HB2' ' HB3' ' A' ' 89' ' ' ASP . 10.0 tmm? . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.76 175.81 5.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.782 -171.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.4 mm -54.5 -33.39 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.859 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 p -58.36 -45.71 87.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 0.0 111.118 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 28.0 mt-10 -77.46 -42.01 37.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.368 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.46 -48.75 71.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.653 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.678 HD21 HG21 ' A' ' 27' ' ' THR . 0.9 OUTLIER -55.01 -48.03 73.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.572 -177.854 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -66.92 -35.97 81.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.249 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -64.85 -42.3 95.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.689 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.26 -35.25 80.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.071 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.431 ' SD ' ' HB2' ' A' ' 18' ' ' GLN . 29.6 mmt -79.26 -10.7 59.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.124 -177.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.43 -8.87 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.184 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -114.01 118.69 42.09 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.662 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.06 145.05 66.16 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.177 2.585 . . . . 0.0 112.561 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.07 -21.41 29.36 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.795 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.31 122.87 42.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.109 0.481 . . . . 0.0 111.259 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -106.63 142.13 36.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.373 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HB2' ' SD ' ' A' ' 11' ' ' MET . 8.6 tt0 -89.77 135.69 33.48 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.8 p -146.15 122.55 10.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -93.09 128.6 44.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -99.83 97.38 8.3 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.82 101.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.298 0.571 . . . . 0.0 110.144 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 t70 172.1 -65.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 -173.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -88.35 -23.1 23.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.597 169.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? 59.43 71.98 0.55 Allowed 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.864 -171.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -150.09 177.86 9.5 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.703 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.678 HG21 HD21 ' A' ' 7' ' ' LEU . 22.8 m -108.1 128.7 54.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.388 0.613 . . . . 0.0 112.0 -173.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.588 ' HG2' ' HG3' ' A' ' 38' ' ' MET . 7.7 mt-30 -105.79 128.04 53.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.206 172.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.2 mt -99.33 108.8 23.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HB3' HD23 ' A' ' 35' ' ' LEU . 11.9 ptmm? -133.01 161.47 34.27 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.22 -171.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.82 HG11 HD11 ' A' ' 107' ' ' LEU . 2.3 t -87.12 -134.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 168.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.91 -57.02 14.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.945 0.402 . . . . 0.0 110.296 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.42 14.35 1.25 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.849 0.833 . . . . 0.0 109.823 174.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.0 t -97.51 116.39 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.183 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' A' ' 30' ' ' LYS . 33.9 mt -93.01 129.81 38.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.651 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.601 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 55.3 p90 -124.45 -9.15 7.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.943 176.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.3 140.85 11.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 111.041 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.588 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 26.6 ttm -151.0 116.32 5.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.96 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.593 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 8.0 p -107.31 132.98 53.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.803 0.335 . . . . 0.0 110.743 -176.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -127.8 159.23 35.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.228 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -106.25 110.73 23.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.144 0.497 . . . . 0.0 109.733 172.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.554 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.1 p -123.12 132.8 70.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.554 ' HG3' HG22 ' A' ' 42' ' ' VAL . 38.1 mt-10 61.15 24.59 14.68 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -174.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.2 t30 67.38 23.88 9.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.534 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 34.4 ptt180 -129.94 141.17 40.94 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.827 0.346 . . . . 0.0 110.375 174.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HB2' HD12 ' A' ' 83' ' ' LEU . 15.0 Cg_exo -69.12 126.38 13.66 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.258 2.639 . . . . 0.0 113.043 -176.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.45 127.81 38.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.611 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 12.6 p -115.32 142.43 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.933 0.397 . . . . 0.0 110.769 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.609 ' HB3' ' HB3' ' A' ' 78' ' ' TRP . 18.7 m -110.91 123.33 49.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.753 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 56' ' ' LEU . 8.3 mp -113.76 176.56 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.648 176.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -89.83 155.55 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.8 m -62.76 103.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.118 0.485 . . . . 0.0 111.215 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.577 ' HB3' HD23 ' A' ' 56' ' ' LEU . 35.8 t -117.46 147.99 41.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.461 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -46.63 -55.14 4.05 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.304 2.669 . . . . 0.0 113.353 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -72.94 -28.54 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 53' ' ' SER . 3.9 mm? -63.14 -35.52 80.57 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.229 173.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.25 -38.51 65.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.034 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -54.29 -48.43 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.714 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.0 tp -52.69 -51.56 59.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.398 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.99 -29.69 70.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.77 0.319 . . . . 0.0 111.68 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -72.68 -44.24 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.558 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.17 -35.52 18.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.489 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -118.08 96.39 5.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.221 0.534 . . . . 0.0 110.658 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -120.92 72.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.013 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.7 p -101.75 -67.32 0.87 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.152 0.501 . . . . 0.0 110.978 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -121.02 7.47 10.34 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.394 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.6 m . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 0.0 110.772 178.051 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.463 ' HE ' ' HB2' ' A' ' 71' ' ' ARG . 5.5 ttm180 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.836 0.351 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -65.93 -27.45 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.901 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.25 -23.38 19.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.627 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 68.19 122.85 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.06 0.85 . . . . 0.0 111.434 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -62.47 -25.83 68.2 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.235 -177.323 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.18 -17.55 64.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.461 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -116.45 -49.01 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.568 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 85.4 m95 -123.31 149.83 44.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.307 0.575 . . . . 0.0 112.079 -175.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 49' ' ' SER . 51.4 m -124.82 132.36 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 172.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.3 m -100.83 120.52 40.24 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.344 0.593 . . . . 0.0 111.917 -170.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.92 120.67 64.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.431 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -86.85 154.39 20.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.037 0.446 . . . . 0.0 110.746 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.496 HD23 HD12 ' A' ' 87' ' ' LEU . 88.7 mt -98.84 24.28 7.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -77.48 -33.22 54.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.117 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.86 19.57 3.3 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 113.234 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 m 58.32 75.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.158 0.504 . . . . 0.0 110.941 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD12 HD23 ' A' ' 83' ' ' LEU . 95.4 mt -93.37 128.11 43.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.25 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -69.14 162.64 40.95 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.685 2.257 . . . . 0.0 111.926 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.7 p-10 -60.2 -36.39 77.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.24 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -53.3 -40.82 65.05 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.374 0.421 . . . . 0.0 111.609 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -44.94 57.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.32 0.581 . . . . 0.0 109.885 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.95 -32.62 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.617 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -54.71 -46.03 74.12 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.356 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -62.08 -44.42 96.71 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.586 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.4 mt -56.6 -41.72 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.6 t -77.52 -44.84 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.51 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -72.04 -36.0 69.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.895 0.379 . . . . 0.0 111.415 -173.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -67.49 -41.02 85.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.258 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.601 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 9.7 p -70.64 -38.77 73.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.629 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -58.14 -43.21 87.21 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.266 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -57.51 -49.02 77.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.421 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.548 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 78.1 mt-30 -53.68 -55.02 29.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.849 178.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.438 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -54.59 -48.39 72.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.088 -175.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.04 -41.24 92.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.118 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -74.13 -24.89 59.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.409 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 93.8 mt -74.77 -21.68 59.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.786 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.82 HD11 HG11 ' A' ' 31' ' ' VAL . 97.0 mt -78.85 147.03 69.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.9 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.19 156.03 52.93 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.849 2.366 . . . . 0.0 112.199 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 3.9 mm-40 -48.84 -44.32 39.4 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.579 -177.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -49.04 -52.79 23.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -37.1 57.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.478 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -61.74 -36.87 82.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.029 -174.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 75.3 mmtt -63.81 -47.99 78.67 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.007 0.432 . . . . 0.0 110.647 177.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.62 -42.53 97.03 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.07 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.88 -37.7 80.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.209 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 112' ' ' ARG . 91.2 t -71.86 -30.28 36.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.428 . . . . 0.0 111.066 -178.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 26.5 mm-40 -69.62 -27.94 65.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.869 -177.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.797 -178.5 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.778 0.323 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.24 165.33 11.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 175.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.531 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 47.0 mm -58.83 -37.42 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.358 -178.149 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -60.99 -45.43 94.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.573 0.225 . . . . 0.0 111.206 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.65 -37.18 82.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.757 0.313 . . . . 0.0 110.158 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.645 HD11 HG21 ' A' ' 96' ' ' VAL . 49.8 tp -60.94 -49.52 77.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 176.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 81.1 mt -59.75 -37.52 79.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.782 178.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.84 -39.12 76.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.495 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -65.66 -32.73 74.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.1 m -66.9 -15.34 63.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.173 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.406 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 2.8 mmt -83.15 -0.63 50.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.153 0.501 . . . . 0.0 110.168 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.16 9.36 39.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.445 0.64 . . . . 0.0 109.896 174.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -111.64 100.23 47.45 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.124 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.01 117.36 4.1 Favored 'Trans proline' 0 CA--C 1.527 0.153 0 C-N-CA 122.586 2.191 . . . . 0.0 112.739 -175.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.2 -24.47 14.2 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.301 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.37 132.03 35.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.72 0.295 . . . . 0.0 110.679 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -131.63 151.73 51.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.945 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.568 ' HG2' HG12 ' A' ' 29' ' ' ILE . 47.6 mt-30 -107.86 145.45 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.564 -174.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 p -153.41 126.9 8.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.666 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.9 p -80.5 126.94 39.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 175.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -104.48 138.0 41.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.702 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -78.91 87.38 4.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.486 -174.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.28 -71.7 0.47 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.61 172.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -152.87 67.42 0.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.491 0.662 . . . . 0.0 110.0 170.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.6 tttt 57.46 74.05 0.44 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.297 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.668 ' HB2' ' HD3' ' A' ' 40' ' ' LYS . . . -130.62 113.35 14.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.106 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.564 ' HB ' ' CG1' ' A' ' 39' ' ' VAL . 31.8 m -94.4 117.31 29.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HB3' HD11 ' A' ' 35' ' ' LEU . 72.0 mt-30 -102.52 134.48 45.79 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.446 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.568 HG12 ' HG2' ' A' ' 18' ' ' GLN . 37.0 mt -110.08 118.77 57.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.343 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -135.8 169.34 17.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.309 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -94.23 -137.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 170.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.736 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 5.8 mm-40 -65.11 -56.87 10.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.059 0.457 . . . . 0.0 110.766 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -126.21 -11.49 6.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.1 t -96.57 110.58 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.764 -172.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 28' ' ' GLN . 60.6 tp -88.21 130.83 34.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 172.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -132.7 -18.97 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.11 140.68 32.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.517 ' SD ' ' HE2' ' A' ' 40' ' ' LYS . 15.5 ttm -138.7 115.69 10.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.562 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.564 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 7.3 p -90.53 125.11 43.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.668 ' HD3' ' HB2' ' A' ' 26' ' ' ALA . 2.4 tppt? -145.09 129.02 17.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.907 -173.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 47.1 mt-10 -90.06 110.92 21.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.28 0.562 . . . . 0.0 111.013 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.453 HG13 ' HE2' ' A' ' 82' ' ' TYR . 4.0 p -121.6 139.74 47.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 173.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 66.28 17.0 10.62 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.673 0.749 . . . . 0.0 108.985 -169.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 60.65 25.59 15.33 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.492 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.53 136.47 22.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 169.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 17.6 Cg_endo -58.25 123.6 14.0 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.785 2.324 . . . . 0.0 111.709 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -144.56 144.29 31.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.639 -176.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.83 129.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.122 0.487 . . . . 0.0 110.913 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 14.9 m -94.82 128.36 41.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.862 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mp -98.48 157.65 16.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.387 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -62.87 -54.52 37.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.667 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 53' ' ' SER . 4.6 t -172.38 -64.87 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.667 176.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.988 ' HB2' ' HB2' ' A' ' 56' ' ' LEU . 8.9 m 66.88 132.71 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.559 0 CA-C-O 121.412 0.625 . . . . 0.0 112.003 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.44 -57.85 0.42 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.536 2.157 . . . . 0.0 112.837 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.04 -31.66 72.34 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.728 0.299 . . . . 0.0 110.941 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.988 ' HB2' ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -67.67 -38.35 83.63 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.843 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.513 ' O ' ' HD3' ' A' ' 61' ' ' ARG . . . -57.08 -43.68 82.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.381 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -62.0 -51.18 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.15 175.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.4 tt -52.61 -47.71 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.144 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 75.2 mt -63.97 -32.52 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 2.1 mpt_? -76.84 -27.45 55.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.272 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.15 -45.6 14.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.626 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 59.92 -155.41 0.35 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 123.27 0.356 . . . . 0.0 111.236 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 75.35 -68.17 0.22 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.421 0.688 . . . . 0.0 111.965 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.5 m -92.17 -36.65 13.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.75 0.309 . . . . 0.0 110.955 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.21 121.45 38.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.727 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.524 ' H ' HD21 ' A' ' 87' ' ' LEU . 93.0 t . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 121.815 0.817 . . . . 0.0 112.654 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 121.398 0.618 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.491 ' HE1' ' HB3' ' A' ' 78' ' ' TRP . 6.7 p80 -95.11 -49.09 5.67 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.652 -175.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -147.28 -154.03 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -173.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -54.23 105.8 0.17 Allowed 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -71.99 -27.26 62.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.205 -173.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.25 21.07 3.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.199 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -145.7 -53.31 0.27 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 110.602 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.491 ' HB3' ' HE1' ' A' ' 72' ' ' HIS . 89.6 m95 -108.23 128.7 54.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.1 m -125.16 140.67 52.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.591 HG22 ' HB1' ' A' ' 47' ' ' ALA . 24.2 m -121.27 132.45 54.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.547 -172.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.6 t -90.46 113.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.512 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' HE2' HG13 ' A' ' 42' ' ' VAL . 32.8 m-85 -87.65 129.25 35.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.543 -176.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.9 50.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 169.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.48 -81.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.132 -172.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.55 21.87 0.48 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 16.2 m -146.64 -171.07 3.67 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.524 HD21 ' H ' ' A' ' 67' ' ' VAL . 95.6 mt 74.57 145.02 0.11 Allowed Pre-proline 0 CA--C 1.532 0.272 0 O-C-N 124.013 0.821 . . . . 0.0 111.375 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 3.0 Cg_exo -75.96 141.64 24.18 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.928 2.418 . . . . 0.0 112.471 -177.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.45 -38.2 89.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.422 0.629 . . . . 0.0 110.031 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 93' ' ' TYR . 12.8 m -60.88 -28.22 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.022 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.602 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 5.2 tp60 -63.92 -35.36 80.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.246 -178.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.4 mt -60.37 -40.19 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.443 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 99.8 m-85 -56.29 -45.41 80.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.905 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.61 -42.69 77.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 56' ' ' LEU . 71.4 mt -59.14 -46.69 87.71 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.396 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.645 HG21 HD11 ' A' ' 6' ' ' LEU . 59.7 t -68.68 -44.54 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 36.8 t70 -66.24 -42.35 88.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.354 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.14 72.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 111.216 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.454 ' HA ' ' NE2' ' A' ' 102' ' ' GLN . 41.7 m -69.61 -34.53 74.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 110.239 177.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.407 ' O ' HG23 ' A' ' 104' ' ' VAL . 55.3 t80 -73.04 -37.95 66.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.707 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 31.6 mm-40 -56.86 -44.04 81.79 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 111.046 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 99' ' ' SER . 42.8 mt-30 -56.08 -40.9 74.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.169 178.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.569 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.93 -41.12 95.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 100' ' ' TYR . 58.0 t -62.75 -32.41 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -76.76 -21.17 55.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.6 mt -88.83 -33.1 17.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.003 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 96.4 mt -63.75 135.23 96.19 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.357 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.545 ' HG2' ' HG2' ' A' ' 111' ' ' LYS . 38.1 Cg_endo -69.81 -173.59 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.921 2.414 . . . . 0.0 113.302 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -53.42 -54.18 40.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.32 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.22 -53.11 55.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.823 -174.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.736 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 26.4 mmmt -65.14 -52.19 56.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.021 -171.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 116' ' ' VAL . 33.2 mtp85 -53.22 -49.81 66.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.896 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -57.25 -44.2 83.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.672 0.272 . . . . 0.0 111.613 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.03 -47.97 64.11 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.738 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 75.3 mt -67.75 -27.57 66.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.165 -173.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 112' ' ' ARG . 78.3 t -77.02 -30.46 17.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.042 0.448 . . . . 0.0 110.885 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -70.57 -28.54 64.96 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.472 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.835 -174.953 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.38 148.09 45.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.252 0.345 . . . . 0.0 110.919 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.452 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 39.5 mm -62.22 -34.48 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -175.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 p -59.85 -51.4 69.87 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -176.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.57 -34.99 79.55 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.879 0.371 . . . . 0.0 110.524 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.28 -45.77 83.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.946 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 72.4 mt -61.55 -36.44 80.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.087 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -64.57 -43.85 92.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.26 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -60.77 -32.56 71.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.364 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.6 m -59.68 -46.87 87.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.298 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mtp -85.43 0.63 51.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.76 0.314 . . . . 0.0 111.716 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.57 -20.99 61.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.188 0.518 . . . . 0.0 109.693 175.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -87.03 122.22 71.24 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.639 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.13 127.49 25.29 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.1 2.533 . . . . 0.0 112.841 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 108.04 -27.89 13.35 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.717 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 123.73 24.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.255 0.55 . . . . 0.0 111.956 -175.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -123.6 129.17 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.956 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HG2' HG12 ' A' ' 29' ' ' ILE . 43.6 mt-30 -103.89 138.31 40.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.634 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 m -141.96 111.51 6.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.48 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.9 p -75.67 116.52 18.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.349 0.595 . . . . 0.0 110.254 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.66 120.42 24.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.695 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -74.54 96.06 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.806 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -159.15 -67.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.868 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -144.61 34.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.017 0.437 . . . . 0.0 110.776 177.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.0 mttt 65.27 77.65 0.3 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.069 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -133.94 105.75 6.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.115 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.637 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 26.0 m -92.43 117.22 29.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.927 0.394 . . . . 0.0 110.148 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.485 ' HB3' HD13 ' A' ' 35' ' ' LEU . 46.4 mt-30 -99.81 123.92 44.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.247 -177.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.527 HG12 ' HG2' ' A' ' 18' ' ' GLN . 14.3 mt -104.07 117.2 49.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -129.17 149.09 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.152 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.557 ' HB ' HD22 ' A' ' 115' ' ' LEU . 20.1 m -93.95 11.44 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.372 0.606 . . . . 0.0 110.727 177.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 174.8 -82.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -142.69 16.02 1.97 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 166.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.06 103.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 114.398 -1.273 . . . . 0.0 109.735 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 28' ' ' GLN . 55.9 tp -81.61 110.5 17.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.58 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -95.15 -39.85 9.9 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.026 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.24 160.91 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.469 0.176 . . . . 0.0 110.67 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.458 ' CE ' HD21 ' A' ' 35' ' ' LEU . 17.4 ptp -148.38 150.61 33.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.435 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 7.6 p -110.7 133.96 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.159 0.504 . . . . 0.0 109.655 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.678 ' HE2' HD11 ' A' ' 73' ' ' LEU . 9.3 mtmp? -136.0 142.46 44.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 -177.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -99.03 111.29 23.73 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.89 144.79 27.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 65.05 21.4 12.25 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -173.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.0 t30 65.4 20.6 11.8 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.404 -175.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -118.91 129.76 25.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.374 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.43 107.74 1.67 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.208 1.939 . . . . 0.0 110.928 172.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -124.45 152.25 43.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.996 -175.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -115.99 141.34 33.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.365 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 79' ' ' SER . 67.2 m -115.45 124.71 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.925 0.393 . . . . 0.0 110.806 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -112.82 172.76 6.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.331 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -89.06 -176.7 5.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.781 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 t -77.99 77.59 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.775 0.798 . . . . 0.0 110.897 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.768 ' HB2' HD23 ' A' ' 56' ' ' LEU . 15.6 m -89.5 152.73 47.67 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.634 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.3 -56.69 2.57 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.277 2.651 . . . . 0.0 113.645 -177.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.83 -32.71 72.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.697 0.284 . . . . 0.0 111.146 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.768 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -70.27 -38.26 75.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.786 0.327 . . . . 0.0 110.574 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.48 87.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.343 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -68.46 -47.13 67.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.28 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.54 -42.04 67.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.731 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.27 -36.97 66.68 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 111.614 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -77.32 -49.09 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.492 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -78.23 -40.41 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -172.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -120.23 93.2 3.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.067 0.46 . . . . 0.0 109.903 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -117.14 2.72 12.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.286 0.565 . . . . 0.0 110.255 -173.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.7 m -84.85 33.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.922 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -166.0 -59.84 0.03 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 111.06 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.563 HG12 HG22 ' A' ' 81' ' ' VAL . 17.6 m . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.82 -176.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 121.175 0.512 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -31.21 63.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.252 178.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.678 HD11 ' HE2' ' A' ' 40' ' ' LYS . 87.4 mt -108.76 -25.17 10.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.874 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.8 t30 75.67 139.72 0.07 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.991 0.917 . . . . 0.0 110.745 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -53.43 -57.73 9.63 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -169.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.91 23.71 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -118.82 -58.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 91.6 m95 -135.68 148.06 48.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.5 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 49' ' ' SER . 35.6 t -125.67 131.89 52.53 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.5 m -106.74 116.25 31.6 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.544 -171.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.563 HG22 HG12 ' A' ' 67' ' ' VAL . 43.2 t -95.72 126.34 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.743 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -95.87 124.0 39.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.052 0.453 . . . . 0.0 110.52 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.2 57.96 2.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.698 0.761 . . . . 0.0 110.777 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -89.49 -23.58 22.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.121 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.12 -0.58 6.09 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.602 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -67.61 -40.16 84.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 0.0 110.739 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.74 145.85 30.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.887 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.91 163.17 38.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.609 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.43 -38.09 88.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.348 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -60.93 -27.76 68.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.395 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.569 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 51.4 tp60 -62.83 -32.91 74.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.621 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.39 -41.19 88.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.29 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -59.92 -44.19 94.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.855 0.359 . . . . 0.0 110.971 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -62.29 -42.92 99.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.214 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 88.2 mt -55.63 -42.12 74.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.607 -176.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.53 -46.21 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.673 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -69.37 -37.93 77.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.767 0.318 . . . . 0.0 111.087 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.55 -34.79 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -177.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 p -73.09 -38.42 66.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.609 0.242 . . . . 0.0 110.877 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.471 ' O ' HG23 ' A' ' 104' ' ' VAL . 85.8 t80 -66.27 -45.23 81.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.1 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -54.6 45.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.857 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.33 -35.44 75.63 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.704 -175.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.0 -41.08 97.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 100' ' ' TYR . 59.0 t -64.5 -30.5 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -75.03 -23.7 58.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.64 -16.4 27.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.499 -175.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 HD11 ' A' ' 115' ' ' LEU . 90.9 mt -88.03 144.39 34.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.304 -176.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.59 168.14 20.72 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.891 2.394 . . . . 0.0 112.323 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.532 ' OE1' ' HE3' ' A' ' 113' ' ' LYS . 7.0 tp10 -54.12 -44.33 71.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.497 -176.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -48.62 -50.47 32.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.308 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.611 ' HA ' ' HE3' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -75.8 -41.79 51.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.006 0.431 . . . . 0.0 110.622 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.443 HH21 ' CD ' ' A' ' 109' ' ' GLU . 50.7 ttp180 -56.44 -39.37 73.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.737 -178.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 9.8 mmpt? -63.44 -48.06 79.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.967 0.413 . . . . 0.0 110.384 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 38.4 mt -63.9 -38.23 90.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.928 -176.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 77.4 mt -57.18 -37.59 72.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.061 0.457 . . . . 0.0 111.05 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 28.4 t -76.27 -28.34 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.444 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 31.5 mm-40 -75.1 -28.98 60.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.681 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 93.7 mt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.54 -0.743 . . . . 0.0 111.127 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.931 0.396 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.5 p -85.75 171.38 11.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.678 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 49.2 mm -60.9 -42.25 91.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.007 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.7 t -61.01 -36.87 80.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.874 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.15 -42.93 75.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.477 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.441 HD11 HG21 ' A' ' 96' ' ' VAL . 43.6 tp -62.79 -45.78 91.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.497 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 81.9 mt -59.91 -36.69 77.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.888 178.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 8' ' ' GLN . 6.9 tp60 -67.26 -40.25 86.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.808 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.46 -33.43 75.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 110.305 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.97 -31.61 71.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.325 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 4.0 mmt -70.06 -27.17 64.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.52 59.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.858 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -96.69 116.44 66.1 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.968 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.83 117.19 4.3 Favored 'Trans proline' 0 CA--C 1.527 0.171 0 C-N-CA 122.725 2.284 . . . . 0.0 112.932 -176.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.08 39.24 2.17 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.574 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.63 118.06 18.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.865 0.365 . . . . 0.0 110.985 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -113.09 140.71 47.64 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -114.41 120.61 40.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.15 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -126.11 108.9 11.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.05 121.06 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.327 0.584 . . . . 0.0 110.819 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 141.24 37.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.652 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -87.55 58.17 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -169.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -112.5 -51.06 2.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.646 171.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -111.39 4.12 18.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.2 tttt 63.11 28.38 16.03 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 122.388 1.09 . . . . 0.0 108.595 -169.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.7 119.42 22.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.357 -175.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.428 ' HB ' ' CG1' ' A' ' 39' ' ' VAL . 28.3 m -85.33 116.4 23.64 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 171.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -103.63 124.49 48.93 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.309 -172.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.1 mt -102.65 121.59 53.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.205 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.584 ' HB3' HD23 ' A' ' 35' ' ' LEU . 22.6 pttp -154.0 170.34 21.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.377 -173.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.486 HG23 ' HB ' ' A' ' 34' ' ' VAL . 2.0 t -78.94 -137.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 168.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -53.19 -57.0 11.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.475 0.58 . . . . 0.0 109.741 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -152.0 26.42 0.63 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.658 0.742 . . . . 0.0 109.864 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.486 ' HB ' HG23 ' A' ' 31' ' ' VAL . 57.3 t -98.29 110.99 26.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.006 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 30' ' ' LYS . 64.5 mt -86.32 128.0 34.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.277 0.56 . . . . 0.0 112.295 -175.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.511 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 51.3 p90 -134.11 -10.13 2.61 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.354 174.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.11 158.23 16.5 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -175.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.691 ' HG3' ' HB2' ' A' ' 49' ' ' SER . 10.2 ptp -154.06 147.6 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.692 174.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.428 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 11.4 p -127.36 137.73 56.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.923 0.392 . . . . 0.0 110.423 177.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -138.6 171.66 14.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.649 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -123.77 135.77 54.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 43' ' ' GLU . 3.7 p -139.07 128.4 30.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.544 ' HG3' HG22 ' A' ' 42' ' ' VAL . 40.3 mt-10 63.05 30.17 16.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.737 -175.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.5 t30 63.59 20.77 12.41 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.85 0.833 . . . . 0.0 110.213 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 45' ' ' ARG . 15.3 mtp180 -119.53 123.46 28.63 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.383 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 83' ' ' LEU . 30.7 Cg_endo -63.99 141.5 77.47 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.75 2.3 . . . . 0.0 112.677 -176.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.12 137.96 36.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.102 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -115.2 147.17 18.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.691 ' HB2' ' HG3' ' A' ' 38' ' ' MET . 17.0 m -139.97 117.92 11.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.976 0.417 . . . . 0.0 110.984 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 95' ' ' LEU . 7.0 mp -98.92 167.03 11.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.71 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' ' 52' ' ' THR . 49.1 tttm -68.42 169.96 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.427 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 2.7 p -71.48 76.53 0.78 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.301 0.572 . . . . 0.0 110.853 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.6 ' HB2' HD23 ' A' ' 56' ' ' LEU . 33.3 m -82.86 147.01 53.72 Favored Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.017 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.14 -53.93 4.72 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.84 2.36 . . . . 0.0 111.963 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.89 -33.25 73.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.49 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.6 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.6 mm? -68.33 -44.99 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.881 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.7 91.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.145 0.498 . . . . 0.0 110.404 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.76 -41.07 90.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.178 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.56 -51.43 59.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.634 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.34 -30.48 70.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.751 0.31 . . . . 0.0 111.562 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.89 ' HE ' ' HA ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -73.1 -35.87 66.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.136 -179.343 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.62 -49.64 7.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.782 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -100.45 116.52 32.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.265 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -60.82 -34.36 74.42 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.3 m 63.61 -173.11 0.16 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.829 171.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -130.76 83.99 2.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.854 -174.243 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -63.44 -38.44 91.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.996 0.427 . . . . 0.0 110.421 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.2 mt -81.15 145.79 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -84.96 136.47 33.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.886 0.374 . . . . 0.0 110.662 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.25 -29.89 66.13 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.734 -173.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.23 17.27 0.37 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.52 -61.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 0.0 110.467 175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.405 ' HH2' ' HB3' ' A' ' 35' ' ' LEU . 79.0 m95 -136.52 163.97 29.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.64 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 m -125.84 126.72 44.95 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 173.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.0 m -102.28 114.56 28.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.342 -172.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -102.83 116.2 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.603 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -75.43 128.96 36.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.551 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 80.2 mt -79.21 63.21 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 172.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -137.52 -42.24 0.55 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.838 -171.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.21 62.49 4.12 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.435 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.1 t 73.34 -90.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.538 0.735 . . . . 0.0 110.68 -176.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 48.91 80.69 0.28 Allowed Pre-proline 0 N--CA 1.464 0.255 0 C-N-CA 122.853 0.461 . . . . 0.0 112.182 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.614 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 18.7 Cg_endo -60.24 142.29 97.88 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.349 2.033 . . . . 0.0 111.815 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.9 -19.29 65.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.423 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -62.8 -31.12 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.614 ' HG2' ' HG2' ' A' ' 88' ' ' PRO . 81.3 mm-40 -72.3 -46.31 56.28 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.096 0.474 . . . . 0.0 109.8 177.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.6 mt -59.03 -39.7 78.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.775 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -54.53 -42.02 70.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.901 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -77.6 -35.74 52.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.963 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 91.1 mt -58.95 -42.4 89.72 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.252 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.441 HG21 HD11 ' A' ' 6' ' ' LEU . 86.3 t -63.18 -43.22 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.13 0.49 . . . . 0.0 110.841 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.63 -39.62 77.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.992 0.425 . . . . 0.0 110.741 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.27 88.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.617 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.511 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 13.3 p -69.32 -34.54 74.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.642 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.09 -41.52 81.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.67 0.272 . . . . 0.0 111.169 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -53.66 55.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.581 -178.052 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -59.99 -33.23 71.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.433 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -63.78 -42.09 97.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.748 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.46 -36.5 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -68.32 -27.51 66.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.738 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.1 mt -86.68 -8.73 57.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.181 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 95.5 mt -85.79 137.39 35.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.812 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 26.0 Cg_exo -63.84 158.75 45.24 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.8 2.333 . . . . 0.0 111.848 176.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 6.0 tp10 -50.54 -46.66 57.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.684 -176.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -48.62 -50.74 31.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.532 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.97 -44.07 90.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.854 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 109' ' ' GLU . 20.0 mtm180 -60.37 -40.26 90.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.473 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 11.3 mmpt? -59.96 -46.62 88.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.338 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.71 -46.35 87.52 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.493 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.32 -29.98 70.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.903 -177.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 112' ' ' ARG . 99.1 t -79.1 -36.62 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 111.059 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.88 -28.86 67.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 99.5 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.751 -0.643 . . . . 0.0 110.391 -179.419 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.449 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 48.3 ttp . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p -75.58 165.97 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.455 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 50.2 mm -59.66 -35.06 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.763 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.3 t -60.41 -40.37 90.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.384 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 31.8 mt-10 -69.91 -39.04 76.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 96' ' ' VAL . 2.9 tm? -63.54 -45.27 91.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.022 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 84.3 mt -59.83 -40.21 87.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.555 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -63.15 -42.09 99.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.596 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -61.86 -36.21 80.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.1 m -73.3 -17.37 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.178 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.417 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 1.5 mmt -79.92 -10.7 59.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.064 0.459 . . . . 0.0 110.542 178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.522 ' O ' ' HD3' ' A' ' 14' ' ' PRO . . . -87.11 0.85 54.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.307 176.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -103.04 96.79 8.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.417 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 12' ' ' ALA . 15.7 Cg_exo -68.28 100.05 0.63 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.7 2.266 . . . . 0.0 111.838 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.56 -20.05 2.4 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.355 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.61 119.03 31.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.723 0.297 . . . . 0.0 110.649 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.01 132.37 52.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.945 0.402 . . . . 0.0 110.182 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.539 ' HG2' HG12 ' A' ' 29' ' ' ILE . 71.6 mt-30 -109.86 122.19 46.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.582 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -128.17 150.42 50.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.341 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.66 123.76 42.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.262 0.554 . . . . 0.0 110.508 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' ND1' ' HB3' ' A' ' 23' ' ' ASP . 11.7 t-80 -87.06 113.42 22.8 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -76.64 55.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.056 0.931 . . . . 0.0 110.769 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 27.6 t70 -155.76 101.74 2.16 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.548 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 18.8 m95 78.89 -5.24 2.04 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.396 1.06 . . . . 0.0 110.433 -170.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt 51.74 78.62 0.12 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.69 0.757 . . . . 0.0 110.269 -175.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' ' 40' ' ' LYS . . . -127.06 148.0 50.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.517 -177.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.469 ' HB ' ' CG2' ' A' ' 39' ' ' VAL . 23.9 m -93.1 118.44 31.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.0 0.429 . . . . 0.0 110.431 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -95.27 114.63 26.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.759 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.539 HG12 ' HG2' ' A' ' 18' ' ' GLN . 45.4 mt -102.69 108.33 23.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' NZ ' ' HA ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -136.06 150.52 49.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -177.22 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 107' ' ' LEU . 1.9 t -79.69 -134.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' HG3' ' CG ' ' A' ' 111' ' ' LYS . 20.1 mm-40 -52.43 -67.33 0.26 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.168 0.509 . . . . 0.0 110.49 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.558 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 24.0 t0 -147.65 36.13 0.87 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.764 0.793 . . . . 0.0 110.279 176.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.9 t -116.87 99.16 7.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.624 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.8 tp -84.34 97.86 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -96.47 -24.89 15.88 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.851 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.77 123.39 12.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.248 0.547 . . . . 0.0 111.878 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.6 ttt -125.82 114.68 18.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.46 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.469 ' CG2' ' HB ' ' A' ' 27' ' ' THR . 27.4 m -97.09 142.5 14.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.598 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -153.16 104.16 2.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.013 0.435 . . . . 0.0 110.816 -176.312 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 2.4 mp0 -92.13 117.62 30.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.473 0.654 . . . . 0.0 111.257 -177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 2.7 p -96.9 110.31 24.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.516 176.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 61.04 26.63 16.56 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 -177.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.6 t30 75.42 22.4 1.66 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.467 0.707 . . . . 0.0 110.698 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -85.56 107.56 12.9 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 167.072 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.751 ' HB2' ' HG ' ' A' ' 83' ' ' LEU . 24.6 Cg_exo -62.81 124.73 14.59 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.036 2.49 . . . . 0.0 112.401 -174.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.93 121.04 10.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.321 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.77 125.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.282 0.563 . . . . 0.0 110.43 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 79' ' ' SER . 6.9 m -100.94 115.57 30.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.653 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -98.68 155.77 17.16 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -80.47 36.57 0.37 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.686 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.5 m 67.49 106.01 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.408 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.834 ' HB2' HD23 ' A' ' 56' ' ' LEU . 14.7 m -126.61 147.49 60.85 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.195 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.09 -64.94 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.535 2.823 . . . . 0.0 113.923 -174.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.92 -30.09 61.1 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.834 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -63.53 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.798 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -73.17 -42.46 62.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 1.6 mp0 -61.89 -43.24 99.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.582 176.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.6 -51.04 68.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.853 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.734 ' HB2' HG11 ' A' ' 67' ' ' VAL . 3.6 pp -67.25 -31.15 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.86 -176.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 3.0 mpt_? -61.68 -38.29 87.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.068 177.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 58' ' ' GLU . 29.4 mm-40 -89.73 -45.99 8.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 -175.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.52 -51.63 54.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -174.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 62.41 -159.71 0.31 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -173.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t 70.12 -81.73 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 170.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 86' ' ' SER . 2.7 t70 -92.85 -8.32 43.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.664 0.268 . . . . 0.0 111.678 -167.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.734 HG11 ' HB2' ' A' ' 60' ' ' LEU . 41.4 t . . . . . 0 C--N 1.324 -0.523 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.241 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.909 0.861 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.537 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 23.6 p80 -90.15 -29.03 18.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.9 175.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 72' ' ' HIS . 56.6 mt -165.78 -55.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -143.67 150.12 38.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.353 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -71.04 -61.34 1.8 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.148 0.28 . . . . 0.0 111.361 -177.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 77' ' ' HIS . . . -113.84 93.73 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 76' ' ' ALA . 5.5 t-80 175.69 -48.41 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 172.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.494 ' HB2' ' HE1' ' A' ' 72' ' ' HIS . 96.7 m95 -112.64 145.06 41.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.096 -0.957 . . . . 0.0 108.764 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' SER . 33.6 t -125.01 132.97 53.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.4 m -122.89 119.92 31.92 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.647 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.457 ' O ' HD23 ' A' ' 83' ' ' LEU . 49.0 t -90.99 104.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.8 176.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -79.08 93.54 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.751 ' HG ' ' HB2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -79.08 82.75 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.658 0.742 . . . . 0.0 111.585 -174.632 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -89.52 -34.86 16.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.506 174.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.46 32.02 0.17 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.162 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.906 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -88.95 -64.55 1.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.626 -175.35 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.906 HD22 ' HB2' ' A' ' 86' ' ' SER . 2.3 mm? -111.97 138.65 21.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.856 -176.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 5.7 Cg_exo -78.66 174.32 12.45 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.027 2.484 . . . . 0.0 112.394 175.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.64 -55.74 12.61 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.34 0.656 . . . . 0.0 111.863 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 93' ' ' TYR . 11.9 m -58.7 -34.13 70.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.467 -174.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 87' ' ' LEU . 22.9 tp60 -70.08 -32.82 71.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.405 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 88' ' ' PRO . 56.8 mt -67.2 -42.45 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.885 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 91.3 m-85 -57.57 -40.94 80.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.308 0.575 . . . . 0.0 110.061 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.05 -41.99 94.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.931 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 92.6 mt -68.61 -44.3 74.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.481 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.824 HG21 HD21 ' A' ' 6' ' ' LEU . 93.1 t -66.24 -41.79 89.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 111.06 -178.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -37.26 79.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.6 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.68 77.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.242 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 6.5 p -64.97 -31.57 72.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.972 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.51 ' O ' HG23 ' A' ' 104' ' ' VAL . 83.5 t80 -73.63 -43.4 59.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.274 175.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -45.0 93.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.897 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 99' ' ' SER . 3.8 pt20 -61.42 -31.64 71.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.773 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -74.95 -28.83 60.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.812 0.339 . . . . 0.0 111.334 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.526 HG13 HD13 ' A' ' 115' ' ' LEU . 93.9 t -70.02 -42.0 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.794 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -73.97 -16.16 61.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 111.076 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 93.0 mt -87.35 -5.97 58.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.98 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.507 HD11 HG11 ' A' ' 31' ' ' VAL . 92.6 mt -83.97 139.22 39.87 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 0.0 111.146 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.468 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 20.4 Cg_exo -66.58 -179.31 1.53 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.186 2.591 . . . . 0.0 113.112 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.635 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 12.5 tp10 -54.12 -57.65 10.32 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.773 -174.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -52.41 -47.76 66.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.364 0.602 . . . . 0.0 111.635 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.53 ' CG ' ' HG3' ' A' ' 32' ' ' GLU . 3.9 mptp? -62.65 -43.52 98.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.709 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 116' ' ' VAL . 40.5 mtt180 -62.98 -27.79 69.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.288 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 7.5 mmpt? -61.34 -50.03 74.56 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.148 0.499 . . . . 0.0 110.024 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.46 -42.4 96.11 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.483 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.526 HD13 HG13 ' A' ' 104' ' ' VAL . 98.4 mt -62.03 -26.62 68.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.682 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 112' ' ' ARG . 66.8 t -83.11 -36.87 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.895 0.378 . . . . 0.0 110.26 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -62.65 -44.21 96.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.256 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.014 -177.405 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p -96.25 130.11 43.41 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.242 0.544 . . . . 0.0 111.313 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.555 HG13 ' HB3' ' A' ' 46' ' ' PRO . 44.4 mm -70.68 -22.12 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.868 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.6 m -51.65 -47.8 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.022 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.96 -35.4 50.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.342 . . . . 0.0 110.81 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.89 -43.47 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.189 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -62.8 -45.99 90.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.288 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.8 -37.32 83.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.244 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -63.94 -32.63 74.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.853 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.3 m -68.73 -26.88 65.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.446 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.9 mtp -80.1 -10.06 59.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.572 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.15 -0.88 57.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.399 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -90.38 117.3 67.91 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.85 113.18 1.88 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.884 2.389 . . . . 0.0 113.275 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.39 -10.07 17.12 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.54 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.69 127.12 39.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.078 0.466 . . . . 0.0 111.542 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -124.3 156.13 37.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -89.96 120.97 31.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.764 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -112.19 104.67 12.88 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -91.98 125.34 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.281 0.562 . . . . 0.0 110.98 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.29 111.11 22.45 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -77.77 79.01 4.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.343 0.592 . . . . 0.0 111.772 -171.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' HB2' ' HD1' ' A' ' 24' ' ' TRP . 10.0 m-20 -136.88 -69.11 0.47 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 171.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.41 ' HD1' ' HB2' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -119.27 21.05 12.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.126 171.314 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 62.19 40.3 11.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.527 -1.215 . . . . 0.0 112.547 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.62 120.93 14.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 171.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.3 m -100.68 117.57 35.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.135 0.493 . . . . 0.0 111.038 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -94.08 121.95 36.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.4 mt -97.6 107.98 20.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.689 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 20.3 pttp -153.63 168.43 26.24 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.526 -174.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.48 HG21 HD21 ' A' ' 107' ' ' LEU . 27.5 m -88.96 -146.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.544 176.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -49.21 -51.94 29.91 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -154.23 18.4 0.49 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.141 0.496 . . . . 0.0 111.379 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.464 ' HB ' HG22 ' A' ' 31' ' ' VAL . 54.2 t -108.26 106.55 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.836 0.351 . . . . 0.0 110.447 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.689 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 59.0 tp -94.83 121.08 36.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.512 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 46.5 p90 -110.83 -29.27 8.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.494 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.6 144.08 19.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.341 . . . . 0.0 111.123 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -140.27 136.19 33.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.635 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -102.36 134.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.004 0.431 . . . . 0.0 110.721 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.519 ' HB2' ' NZ ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -150.17 119.76 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -178.561 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.522 ' OE2' ' HA ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -83.08 114.47 21.32 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.299 0.571 . . . . 0.0 111.127 -179.402 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.8 p -117.5 143.43 28.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 42' ' ' VAL . 51.4 mt-10 66.27 15.52 10.12 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -171.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.9 t30 67.6 11.49 8.4 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.167 -172.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.476 ' HD2' ' OD1' ' A' ' 84' ' ' ASP . 48.1 mtm180 -106.8 133.54 20.22 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.929 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.608 ' HB2' ' HB2' ' A' ' 83' ' ' LEU . 48.1 Cg_exo -57.15 134.52 64.74 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.806 2.337 . . . . 0.0 112.621 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.94 127.56 9.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.453 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.93 136.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 -175.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 79' ' ' SER . 9.6 t -111.13 115.83 30.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.933 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 99' ' ' SER . 6.7 mp -99.0 155.96 17.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.635 178.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -78.42 167.73 20.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -43.01 111.77 0.3 Allowed 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.629 0.58 . . . . 0.0 112.073 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.634 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . 39.3 t -129.66 139.04 34.49 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.074 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 76.9 Cg_exo -50.28 -63.92 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.091 2.528 . . . . 0.0 112.851 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.74 -34.32 78.04 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.634 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 4.4 mm? -65.76 -41.55 91.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.692 0.282 . . . . 0.0 110.57 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.57 68.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.394 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 54' ' ' PRO . 26.0 mm-40 -61.14 -41.36 96.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.066 177.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.2 tp -52.75 -37.65 59.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.896 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.587 HD13 ' HG2' ' A' ' 69' ' ' PRO . 65.8 tp -71.15 -34.01 70.6 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.541 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 61' ' ' ARG . 4.6 mpt_? -75.58 -49.56 18.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.917 0.389 . . . . 0.0 110.999 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.55 -51.63 11.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.958 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -108.0 154.57 21.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.991 0.424 . . . . 0.0 110.299 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -139.62 158.49 44.03 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.796 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 m 62.77 -163.87 0.26 Allowed 'General case' 0 CA--C 1.535 0.404 0 O-C-N 123.689 0.618 . . . . 0.0 111.796 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t70 72.45 -81.3 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.455 0.702 . . . . 0.0 111.949 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.85 -31.93 23.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.017 0.437 . . . . 0.0 110.115 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 62.24 88.62 0.12 Allowed Pre-proline 0 N--CA 1.465 0.283 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.84 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.587 ' HG2' HD13 ' A' ' 60' ' ' LEU . 13.8 Cg_exo -70.75 106.84 1.92 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.251 1.968 . . . . 0.0 109.709 167.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.9 p -117.1 168.9 9.87 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.0 0.429 . . . . 0.0 111.805 -169.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -101.05 72.88 1.49 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.228 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -94.95 -28.09 15.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.33 -66.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.323 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.569 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 39.6 t-20 -166.06 120.26 1.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -86.3 -26.87 24.7 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -169.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.9 -30.44 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.807 -176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -93.51 -21.85 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.01 0.434 . . . . 0.0 110.776 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.569 ' HD1' ' HB3' ' A' ' 74' ' ' ASN . 86.7 m95 -131.2 168.66 17.11 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 49' ' ' SER . 14.5 m -136.87 125.76 24.18 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.9 m -106.5 114.55 28.73 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.168 0.509 . . . . 0.0 110.733 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.3 t -98.13 115.01 37.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.8 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -72.01 99.6 2.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.939 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . 89.1 mt -69.0 -40.0 79.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.61 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.476 ' OD1' ' HD2' ' A' ' 45' ' ' ARG . 15.9 t70 68.42 -57.26 0.49 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.095 0.872 . . . . 0.0 112.983 171.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.17 -33.95 2.38 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.9 t -85.73 -3.44 58.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.61 -0.295 . . . . 0.0 111.341 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.82 136.56 54.74 Favored Pre-proline 0 C--O 1.238 0.463 0 CA-C-O 120.732 0.301 . . . . 0.0 110.479 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.65 142.19 63.22 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.989 2.459 . . . . 0.0 112.675 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 6.7 p-10 -65.19 -30.18 71.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.852 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -51.12 -48.38 61.77 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.652 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 36.2 tt0 -73.27 -40.38 64.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.939 -177.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 96' ' ' VAL . 63.3 mt -61.6 -45.09 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.022 -174.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.443 ' CE2' ' HB2' ' A' ' 89' ' ' ASP . 29.7 m-85 -58.41 -41.21 84.47 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.944 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.02 -37.92 87.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.729 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 93.9 mt -65.25 -39.23 92.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 92' ' ' ILE . 99.1 t -60.72 -52.41 61.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.788 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.479 ' HA ' ' HB3' ' A' ' 100' ' ' TYR . 2.1 m-20 -66.76 -28.98 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.54 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -59.42 -50.58 73.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 0.0 110.503 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.548 ' HB3' HD23 ' A' ' 50' ' ' LEU . 5.3 p -71.56 -34.49 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.479 ' HB3' ' HA ' ' A' ' 97' ' ' ASP . 39.8 t80 -63.8 -43.2 97.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.731 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -44.59 90.59 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 22.6 mt-30 -58.36 -44.4 88.8 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.56 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -57.18 -44.66 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.81 -38.66 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -68.81 -29.52 67.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 98.7 mt -84.46 -5.23 59.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.594 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 87.9 mt -86.71 137.88 33.65 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.659 0.266 . . . . 0.0 110.789 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.499 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 26.4 Cg_exo -64.03 175.02 3.42 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.94 2.427 . . . . 0.0 112.173 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 8.2 tp10 -54.85 -51.49 65.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.102 -175.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -48.8 -49.47 38.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.749 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.499 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 4.3 mptp? -69.34 -47.14 65.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.358 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.2 mtp180 -59.76 -41.39 90.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.696 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 75.8 mmtt -56.65 -34.31 67.2 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.739 0.304 . . . . 0.0 111.36 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.41 -47.65 59.81 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.24 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.85 -26.9 67.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.678 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 112' ' ' ARG . 92.3 t -66.16 -28.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.169 0.509 . . . . 0.0 110.821 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.468 ' HA ' ' OE1' ' A' ' 117' ' ' GLN . 11.3 mm-40 -75.35 -28.9 59.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.543 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.814 -0.613 . . . . 0.0 111.209 -175.638 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 58.0 ttp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.906 0.384 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.38 -176.51 3.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.809 177.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.508 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 82.2 mt -57.51 -44.84 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -173.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -62.91 -42.49 99.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.519 0.199 . . . . 0.0 111.239 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.498 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 2.1 mp0 -66.27 -36.77 83.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.55 HD11 HG21 ' A' ' 96' ' ' VAL . 43.2 tp -63.59 -45.09 91.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.031 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 87.8 mt -61.66 -42.96 99.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.316 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -59.66 -45.16 92.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.48 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.41 -42.42 99.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.865 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.9 m -71.11 -13.61 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.353 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.514 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 3.8 mmt -85.17 -36.97 20.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 110.058 175.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' HD3' ' A' ' 14' ' ' PRO . . . -75.26 -11.27 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.092 175.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -99.41 101.31 12.68 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.759 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 12' ' ' ALA . 37.7 Cg_exo -60.39 156.84 38.87 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.244 2.629 . . . . 0.0 113.087 -174.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.35 -36.04 3.94 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.851 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.27 126.4 32.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.241 0.543 . . . . 0.0 110.896 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -119.77 138.76 53.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.159 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -106.03 125.45 51.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -175.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 m -115.27 118.92 34.63 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.065 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -138.08 135.37 45.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.408 0.623 . . . . 0.0 111.671 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -114.78 128.78 56.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.712 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -79.95 67.83 5.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.638 0.732 . . . . 0.0 110.648 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -105.34 -69.05 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -117.01 -4.39 11.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 166.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt 70.6 96.93 0.07 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.767 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . . . -127.69 101.35 6.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.748 172.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.558 ' HB ' HG23 ' A' ' 39' ' ' VAL . 20.8 m -81.18 116.95 21.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 110.285 -175.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -99.28 121.14 40.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.467 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mt -99.58 111.43 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -132.84 169.51 16.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.809 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG12 ' OE1' ' A' ' 32' ' ' GLU . 1.9 t -83.75 -135.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 170.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -54.43 -62.54 1.59 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.051 0.453 . . . . 0.0 110.098 172.716 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -137.94 3.61 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.573 0.701 . . . . 0.0 110.219 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.7 t -86.74 101.71 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.738 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.5 tp -84.76 123.23 30.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.86 176.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -112.3 -33.93 6.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.712 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.72 156.33 27.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.275 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -146.85 141.83 27.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.959 0.409 . . . . 0.0 111.24 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.558 HG23 ' HB ' ' A' ' 27' ' ' THR . 4.1 m -99.28 109.9 25.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.872 175.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 26' ' ' ALA . 33.1 pttt -103.5 123.74 47.45 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.087 -175.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.53 110.64 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 p -122.96 113.6 38.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.696 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 62.85 27.19 15.92 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t30 69.35 -0.69 2.45 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.602 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -95.13 133.68 25.82 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.915 0.388 . . . . 0.0 110.239 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' ' 83' ' ' LEU . 38.2 Cg_endo -66.4 117.07 4.42 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.179 2.586 . . . . 0.0 113.685 -173.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 40' ' ' LYS . . . -125.63 128.66 48.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.543 172.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.682 HG11 HD13 ' A' ' 95' ' ' LEU . 13.4 p -115.57 147.47 18.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.929 0.395 . . . . 0.0 110.498 -176.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' A' ' 79' ' ' SER . 71.1 m -128.29 124.88 37.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 50' ' ' LEU . 5.0 mp -106.27 146.66 30.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.597 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -59.33 -49.23 78.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.924 0.392 . . . . 0.0 110.442 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.3 t -173.9 143.01 0.92 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.281 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.638 ' HB2' ' HB2' ' A' ' 56' ' ' LEU . 54.3 m -157.29 135.47 7.43 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.981 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.47 -57.48 0.87 Allowed 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.921 2.414 . . . . 0.0 113.21 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.63 -34.57 75.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.543 0.211 . . . . 0.0 110.998 -176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -63.77 -39.86 95.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.698 0.285 . . . . 0.0 110.679 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.526 ' O ' ' HD2' ' A' ' 61' ' ' ARG . . . -68.47 -37.3 80.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.226 176.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.79 -42.27 99.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.421 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -52.85 -34.84 56.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.127 ' HA ' HG11 ' A' ' 67' ' ' VAL . 4.2 tt -64.11 -42.9 96.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.313 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.526 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 1.7 mpt_? -75.6 -36.59 60.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.833 0.349 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -77.39 -63.29 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.447 ' O ' HG12 ' A' ' 67' ' ' VAL . 12.0 mm100 -118.98 105.74 11.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.564 0.221 . . . . 0.0 111.466 -171.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -79.77 8.15 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.4 m -110.77 -20.87 12.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.059 0.457 . . . . 0.0 110.901 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.86 -24.9 24.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.055 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 1.127 HG11 ' HA ' ' A' ' 60' ' ' LEU . 14.7 p -112.23 136.47 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.264 177.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -134.17 87.09 34.8 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -80.29 127.46 6.69 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.026 2.484 . . . . 0.0 111.8 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.9 p -126.8 141.86 51.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.876 0.37 . . . . 0.0 110.532 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -80.48 31.6 0.29 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.299 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -67.1 -19.31 65.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.25 0.548 . . . . 0.0 109.6 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.1 mt -140.81 -63.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.628 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -156.36 123.99 5.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -85.32 -28.68 25.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.178 -172.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.96 -36.08 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -169.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -88.07 -27.99 21.62 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.19 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -106.03 164.53 11.9 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.615 ' O ' ' HA ' ' A' ' 49' ' ' SER . 14.8 m -125.44 126.83 45.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.031 0.443 . . . . 0.0 109.991 177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -109.26 114.97 29.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.401 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.453 ' HB ' ' CG1' ' A' ' 48' ' ' VAL . 60.8 t -103.88 115.95 46.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.031 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -86.35 113.46 22.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.116 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.65 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 82.0 mt -81.16 70.22 7.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.793 0.806 . . . . 0.0 109.257 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -145.06 96.7 2.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.463 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.83 -53.51 4.69 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.137 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.3 m -81.97 140.53 33.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.425 0.155 . . . . 0.0 111.314 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.452 HD22 ' HG3' ' A' ' 91' ' ' GLN . 80.0 mt 71.05 128.93 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.371 0 O-C-N 124.122 0.889 . . . . 0.0 112.521 176.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -83.9 -177.86 3.29 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.046 2.498 . . . . 0.0 112.6 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -58.96 -37.92 77.89 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.169 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -53.92 -40.76 67.0 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.726 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.625 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 27.0 mm-40 -67.31 -35.83 80.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.489 ' HA ' HD12 ' A' ' 95' ' ' LEU . 36.6 mt -62.67 -39.38 84.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 -177.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -60.33 -46.2 90.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.095 0.474 . . . . 0.0 110.091 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -68.56 -33.21 73.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.031 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.682 HD13 HG11 ' A' ' 48' ' ' VAL . 96.3 mt -54.48 -47.8 72.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.137 0.494 . . . . 0.0 110.902 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.55 HG21 HD11 ' A' ' 6' ' ' LEU . 89.5 t -75.92 -44.39 38.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.695 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -60.73 -52.61 64.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.671 -175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.85 95.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.745 0.307 . . . . 0.0 111.244 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.4 m -63.67 -45.01 92.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 104' ' ' VAL . 76.3 t80 -64.79 -44.35 90.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.576 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -61.96 -49.5 75.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.473 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 4.2 pt20 -63.1 -32.72 74.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.054 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -67.35 -38.51 84.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.45 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 100' ' ' TYR . 97.5 t -66.18 -35.86 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.84 -24.08 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.853 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 94.8 mt -87.69 -7.61 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.788 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 92.4 mt -82.43 149.91 62.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.644 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.41 163.75 22.71 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.966 2.444 . . . . 0.0 112.381 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 5.0 tp10 -52.53 -47.73 66.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.944 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.571 ' HA ' ' HE2' ' A' ' 113' ' ' LYS . 34.3 tt0 -51.63 -50.31 60.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.017 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.7 -44.21 82.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.547 -174.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 116' ' ' VAL . 30.0 mtm180 -62.89 -41.13 99.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.256 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 110' ' ' GLU . 46.8 mtmt -61.37 -33.61 73.94 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.782 0.325 . . . . 0.0 110.993 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 71.4 mt -71.59 -42.39 67.8 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.778 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.423 HD23 HD12 ' A' ' 118' ' ' LEU . 98.6 mt -62.13 -28.5 69.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.584 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 112' ' ' ARG . 85.7 t -70.05 -35.3 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 0.0 110.692 177.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -75.19 -28.52 60.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.478 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 92.3 mt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.205 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.589 ' HB2' ' HB2' ' A' ' 89' ' ' ASP . 3.7 tmm? . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.42 159.93 14.99 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.138 -175.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.47 HD11 HD12 ' A' ' 83' ' ' LEU . 48.8 mm -54.86 -40.89 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.32 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -35.49 73.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.179 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -77.2 -36.3 54.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.016 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD21 HG21 ' A' ' 96' ' ' VAL . 3.0 tm? -61.91 -41.1 97.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.582 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 91.1 mt -59.42 -39.18 82.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.951 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -73.01 -38.65 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.461 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -58.83 -37.35 76.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.073 0.464 . . . . 0.0 110.983 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.5 m -68.49 -18.9 64.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.315 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.2 mmt -77.86 -5.82 52.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.984 0.421 . . . . 0.0 110.816 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.18 -10.03 37.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.188 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 75.6 mmtt -95.88 122.12 59.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.018 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 28.1 Cg_exo -62.07 128.1 23.12 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.463 2.109 . . . . 0.0 112.378 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.83 -18.34 56.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.999 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.92 119.66 25.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 110.899 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -131.55 145.89 51.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.186 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -90.75 122.17 33.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.187 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -136.49 137.54 40.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.83 109.34 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.846 0.831 . . . . 0.0 109.808 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -101.08 133.83 45.0 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.898 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -52.19 114.51 1.36 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.795 0.684 . . . . 0.0 110.138 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -168.44 -103.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.216 -170.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.595 ' HZ2' ' HB3' ' A' ' 72' ' ' HIS . 34.0 m0 -116.66 21.09 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 170.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 58.09 82.93 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.164 -163.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -133.64 148.52 51.53 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.279 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.3 m -79.63 116.6 19.92 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.15 0.5 . . . . 0.0 109.868 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.527 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 79.6 mt-30 -117.72 114.02 22.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.947 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.8 mt -93.07 108.32 20.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.297 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.59 154.11 51.13 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.579 -172.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.557 HG12 ' H ' ' A' ' 32' ' ' GLU . 6.2 t -86.13 174.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 169.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.618 ' HG3' ' HD3' ' A' ' 111' ' ' LYS . 10.7 mm-40 -26.78 -52.52 0.06 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -134.67 3.58 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.279 0.562 . . . . 0.0 110.92 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -108.63 101.01 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.449 . . . . 0.0 111.728 -171.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.433 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 69.0 tp -87.84 102.17 14.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -100.75 -18.64 16.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.522 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.22 118.53 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.313 0.577 . . . . 0.0 111.173 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.527 ' HB2' ' HG2' ' A' ' 28' ' ' GLN . 24.2 ptm -128.79 131.9 47.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.985 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.554 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 12.3 p -104.83 127.55 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.309 0.576 . . . . 0.0 110.133 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.79 ' HE2' HD11 ' A' ' 73' ' ' LEU . 25.3 mtpp -127.17 111.03 13.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.695 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' OE2' ' HA ' ' A' ' 44' ' ' ASN . 32.0 tt0 -78.68 111.88 15.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 p -108.95 111.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.55 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 61.52 36.76 16.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.687 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.496 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 2.4 t-20 73.35 13.69 4.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.375 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 45' ' ' ARG . 51.7 mtt180 -102.72 126.7 32.02 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.556 173.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -72.18 110.98 3.08 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.506 2.138 . . . . 0.0 112.226 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.39 135.18 54.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.259 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -116.69 138.52 47.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.413 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t -120.19 132.06 55.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.916 0.388 . . . . 0.0 110.261 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.005 ' HB2' HD11 ' A' ' 56' ' ' LEU . 8.7 mp -113.64 172.8 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.431 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 35' ' ' LEU . 67.4 mttm -74.56 167.13 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 170.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.9 m -67.15 97.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.109 0.481 . . . . 0.0 109.787 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.0 m -116.56 151.24 46.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.909 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 37.9 Cg_exo -57.57 -37.17 97.91 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.686 2.257 . . . . 0.0 112.03 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -63.89 -42.76 97.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.785 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.005 HD11 ' HB2' ' A' ' 50' ' ' LEU . 12.9 mt -64.25 -36.78 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.026 175.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -62.27 -35.56 79.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.93 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 38.7 mt-10 -55.89 -54.31 46.2 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.965 0.412 . . . . 0.0 110.476 177.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.6 mp -56.4 -40.32 74.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.758 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.9 tp -68.49 -31.88 71.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.529 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 57' ' ' ALA . 37.8 mmt180 -74.75 -33.82 62.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.043 0.449 . . . . 0.0 110.689 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -86.65 -33.21 20.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.489 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 62.19 24.76 14.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.859 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -101.23 19.69 17.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.701 0.763 . . . . 0.0 109.512 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.689 ' HB3' HD21 ' A' ' 87' ' ' LEU . 34.7 m -150.15 159.32 44.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.525 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -82.98 119.42 24.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.94 0.4 . . . . 0.0 110.897 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.12 125.23 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.414 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -133.77 146.11 58.87 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.105 177.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 3.1 Cg_exo -75.13 70.64 5.33 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.044 2.496 . . . . 0.0 112.422 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.506 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 34.2 m 59.99 -176.97 0.1 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.439 176.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.62 ' NE ' ' HA ' ' A' ' 71' ' ' ARG . 4.7 mmp_? -124.83 -74.03 0.62 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.175 172.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.595 ' HB3' ' HZ2' ' A' ' 24' ' ' TRP . 46.8 t-80 -95.41 -15.47 22.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.255 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.79 HD11 ' HE2' ' A' ' 40' ' ' LYS . 5.7 mp -61.4 -73.73 0.09 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 -175.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 70' ' ' SER . 64.4 t30 -160.43 167.97 26.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -80.44 -27.68 37.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.856 0.36 . . . . 0.0 110.686 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.5 177.59 7.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 75.17 -48.91 0.64 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.554 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -86.99 134.06 33.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.752 0.311 . . . . 0.0 110.286 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.616 ' HB2' HD13 ' A' ' 56' ' ' LEU . 15.4 m -125.64 126.37 44.61 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.6 m -111.68 129.47 56.09 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.3 -172.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.5 t -111.4 128.91 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.842 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -91.8 115.71 28.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.941 0.4 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 3' ' ' ILE . 89.4 mt -81.31 77.85 8.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.556 0.693 . . . . 0.0 110.751 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -127.08 -29.7 2.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.827 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.44 -160.65 19.38 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.479 ' OG ' ' HA ' ' A' ' 65' ' ' SER . 23.2 t 72.03 -66.57 0.3 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.376 0.67 . . . . 0.0 111.443 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 65' ' ' SER . 2.8 mm? -95.83 124.14 53.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.542 0.211 . . . . 0.0 110.883 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.494 ' HD2' ' HG3' ' A' ' 91' ' ' GLN . 63.2 Cg_endo -75.72 -178.31 4.22 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.606 2.204 . . . . 0.0 112.363 174.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.589 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 8.9 p-10 -59.43 -36.26 75.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.266 -175.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -67.7 -38.31 83.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.81 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.494 ' HG3' ' HD2' ' A' ' 88' ' ' PRO . 15.9 mm100 -65.46 -31.94 73.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.369 -177.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.58 -44.97 94.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.635 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -63.71 -36.3 83.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -59.35 -42.18 90.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.072 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.09 -43.28 58.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.16 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.401 HG21 HD21 ' A' ' 6' ' ' LEU . 85.6 t -63.27 -47.64 91.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.378 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -65.63 -38.82 90.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.023 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.44 98.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t -67.45 -32.09 72.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.154 0.502 . . . . 0.0 110.116 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.418 ' O ' HG23 ' A' ' 104' ' ' VAL . 69.2 t80 -70.13 -41.79 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.428 176.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -60.7 -49.14 78.7 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.577 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' A' ' 103' ' ' ALA . 1.6 pt20 -63.03 -40.11 96.75 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.492 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -57.94 -45.51 86.49 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.312 -178.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 100' ' ' TYR . 98.8 t -63.81 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -77.09 -16.13 59.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.587 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 86.0 mt -93.49 -4.9 50.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.699 0.285 . . . . 0.0 111.022 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 84.2 mt -75.82 152.63 84.91 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.894 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.39 154.35 64.5 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.282 1.988 . . . . 0.0 110.633 171.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.31 -45.21 68.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.378 0.424 . . . . 0.0 111.818 -172.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 1.9 tm-20 -55.5 -47.25 76.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.618 ' HD3' ' HG3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -72.37 -42.89 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.599 . . . . 0.0 110.428 -178.642 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.8 tmm_? -60.34 -47.74 84.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.867 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 113' ' ' LYS . 66.9 mmtt -63.67 -31.28 72.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.924 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 54.2 mt -59.43 -48.93 79.74 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.745 0.307 . . . . 0.0 110.81 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 mt -69.99 -26.78 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.262 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.9 t -76.16 -38.44 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.218 0.532 . . . . 0.0 110.838 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -71.79 -27.74 63.15 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.003 -178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 90.9 mt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.078 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HB3' ' HB2' ' A' ' 89' ' ' ASP . 5.6 tmm? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -122.56 171.95 8.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.639 -169.447 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' A' ' 6' ' ' LEU . 49.9 mm -53.13 -35.48 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 123.487 0.715 . . . . 0.0 112.659 -174.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 p -56.29 -39.92 73.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.102 0.477 . . . . 0.0 110.8 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.534 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 36.3 mt-10 -78.21 -31.47 49.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.359 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 1.5 mm? -61.03 -35.75 77.71 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.279 178.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.3 tm? -54.87 -50.52 68.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.46 . . . . 0.0 109.924 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -67.45 -36.96 82.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.747 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -64.68 -36.37 84.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.98 -33.37 73.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.037 0.446 . . . . 0.0 110.469 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.452 ' CE ' ' HG3' ' A' ' 18' ' ' GLN . 28.0 mmt -80.14 -1.34 39.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -2.65 58.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.201 0.524 . . . . 0.0 109.875 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.59 103.63 33.31 Favored Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.479 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.9 119.08 6.0 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.857 2.371 . . . . 0.0 112.839 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' HA3' HD22 ' A' ' 115' ' ' LEU . . . 116.52 -25.62 9.02 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.989 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.48 123.67 32.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.775 0.321 . . . . 0.0 110.331 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -115.15 124.36 51.3 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.499 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 4.2 pp0? -96.43 155.72 16.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.367 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -153.9 104.69 2.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.364 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.575 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.6 p -79.23 112.35 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.483 0.658 . . . . 0.0 110.127 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -86.94 125.69 34.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.773 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -79.67 16.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.507 0.67 . . . . 0.0 110.577 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.24 -55.61 11.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.731 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.419 ' HH2' ' HE3' ' A' ' 40' ' ' LYS . 8.0 p-90 -140.06 16.53 2.45 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.138 176.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 61.91 84.08 0.14 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.995 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.14 136.36 17.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.285 -1.325 . . . . 0.0 108.907 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 27.3 m -99.71 117.53 34.25 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.224 0.535 . . . . 0.0 110.828 -177.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -88.04 112.88 23.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.739 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.448 HG12 ' HB3' ' A' ' 18' ' ' GLN . 39.8 mt -107.42 108.37 25.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.0 0.428 . . . . 0.0 109.851 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -141.29 169.44 17.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.729 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 32' ' ' GLU . 1.9 t -86.79 -141.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 172.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' H ' HG12 ' A' ' 31' ' ' VAL . 39.7 mt-10 -67.21 -49.8 63.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.09 -0.381 . . . . 0.0 110.678 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -142.01 16.14 2.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.548 0.69 . . . . 0.0 110.436 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.3 t -113.22 108.95 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.836 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.0 tp -93.93 114.15 26.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.962 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -106.04 -32.14 8.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.52 155.18 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.066 0.46 . . . . 0.0 111.314 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 38' ' ' MET . 14.0 ptp -138.79 119.74 14.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.329 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.503 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 14.9 p -87.14 137.19 21.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HE3' ' HH2' ' A' ' 24' ' ' TRP . 10.5 ptmt -153.92 136.37 15.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.847 0.356 . . . . 0.0 111.745 -166.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -93.03 110.48 21.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -126.19 135.89 62.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.864 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 60.53 25.04 14.69 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -169.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.9 t30 61.3 23.67 13.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.452 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HB2' ' HE1' ' A' ' 82' ' ' TYR . 19.9 mmt180 -114.09 134.67 22.14 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.77 177.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -70.02 121.19 7.83 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.238 1.959 . . . . 0.0 111.896 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.69 169.88 16.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.162 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.48 134.58 30.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.956 0.408 . . . . 0.0 110.57 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 79' ' ' SER . 50.2 m -106.32 120.11 41.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.107 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD22 ' HG ' ' A' ' 56' ' ' LEU . 5.9 mp -98.55 145.95 26.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.861 ' HA ' ' HE2' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -95.26 -17.94 21.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.917 0.389 . . . . 0.0 110.185 178.07 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.611 HG22 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -126.58 -160.15 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.252 -176.702 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.611 ' H ' HG22 ' A' ' 52' ' ' THR . 37.3 t 75.66 113.4 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.253 0 C-N-CA 123.879 0.871 . . . . 0.0 111.543 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.08 -21.59 13.76 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.892 2.395 . . . . 0.0 111.928 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -75.21 -36.15 61.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.484 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HG ' HD22 ' A' ' 50' ' ' LEU . 3.9 mm? -62.9 -35.92 81.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.873 0.368 . . . . 0.0 110.331 175.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.679 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -62.32 -39.6 93.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.508 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.49 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.98 -31.57 71.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.458 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.6 tp -72.89 -40.58 65.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.427 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.679 ' HG2' ' O ' ' A' ' 57' ' ' ALA . 31.9 mmt180 -73.8 -50.61 19.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.772 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.65 -55.32 5.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.187 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.518 ' O ' HG12 ' A' ' 67' ' ' VAL . 19.2 mm-40 -93.15 54.42 2.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.053 0.454 . . . . 0.0 110.655 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -77.21 44.33 0.41 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.242 -174.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 t -165.37 -39.27 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' A' ' 63' ' ' GLN . 27.1 t70 -65.35 -46.89 78.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.201 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 63' ' ' GLN . 11.1 p -73.04 -41.55 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.902 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' ' HD2' ' A' ' 82' ' ' TYR . 16.3 ttp180 59.05 103.36 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 123.449 0.699 . . . . 0.0 112.006 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.536 ' HA ' ' HB ' ' A' ' 80' ' ' THR . 86.2 Cg_endo -79.54 179.44 6.34 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.553 2.169 . . . . 0.0 112.17 177.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.5 p -90.5 110.88 21.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.185 0.517 . . . . 0.0 110.52 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HD3' HH11 ' A' ' 71' ' ' ARG . 18.2 ttm180 -62.46 -24.57 67.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.109 -176.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -72.63 -19.59 61.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.267 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.9 mt -121.88 -177.42 3.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.854 0.359 . . . . 0.0 110.927 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 77' ' ' HIS . 9.6 m120 -72.31 102.42 3.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.647 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -67.74 -24.28 65.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.988 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.96 40.03 1.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.022 0.439 . . . . 0.0 110.722 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 74' ' ' ASN . 1.3 t-80 -152.12 -38.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -108.13 170.23 8.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.782 168.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' SER . 16.2 m -125.32 126.29 44.84 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.536 ' HB ' ' HA ' ' A' ' 69' ' ' PRO . 25.4 m -128.19 130.06 47.44 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.841 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.1 122.01 68.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.98 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.504 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . 7.7 m-85 -77.35 118.94 20.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.295 0.569 . . . . 0.0 110.58 177.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.4 mt -97.78 30.78 2.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.689 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.504 ' OD1' ' HB3' ' A' ' 82' ' ' TYR . 5.6 p-10 -76.38 0.18 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.214 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.38 -15.04 3.69 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.227 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.0 t -63.84 -55.27 24.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.906 0.384 . . . . 0.0 110.306 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 4.0 mm? -96.65 141.36 22.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.034 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 10.9 Cg_exo -71.11 161.3 46.42 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.988 2.458 . . . . 0.0 112.44 -178.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 4.5 p30 -64.85 -24.69 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.237 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 p -64.92 -28.44 69.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.097 0.475 . . . . 0.0 110.911 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -73.18 -32.32 64.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.707 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.9 mt -61.61 -35.9 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -54.14 -48.86 70.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.1 0.476 . . . . 0.0 110.867 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.68 -43.52 97.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.848 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.23 -41.34 98.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.472 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -77.46 -51.9 17.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.801 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.42 -42.95 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.143 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -62.79 -41.99 99.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.612 0.244 . . . . 0.0 111.485 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.54 ' HA ' HE21 ' A' ' 102' ' ' GLN . 50.7 m -62.91 -41.36 99.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 110.909 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.483 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.8 t80 -62.76 -48.07 80.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.735 178.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -57.42 -44.46 84.63 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.177 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.54 HE21 ' HA ' ' A' ' 99' ' ' SER . 48.0 mt-30 -57.38 -44.61 84.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.025 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.507 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.64 -39.92 94.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.416 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 100' ' ' TYR . 91.0 t -63.37 -42.98 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.182 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -69.82 -18.67 63.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.382 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 95.4 mt -90.57 -8.56 49.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.98 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 87.3 mt -84.92 155.54 61.17 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.913 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.84 160.24 26.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.987 2.458 . . . . 0.0 112.312 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.2 mm-40 -54.31 -48.29 71.48 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.967 -176.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' A' ' 110' ' ' GLU . 4.8 mp0 -53.05 -50.14 64.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.152 0.501 . . . . 0.0 111.044 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -67.47 -40.17 85.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.131 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -60.32 -35.97 76.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.59 -176.493 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 71.5 mmtt -58.94 -47.82 83.69 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.197 0.523 . . . . 0.0 110.976 -177.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.28 -44.77 95.06 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.849 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.402 HD22 ' HA3' ' A' ' 15' ' ' GLY . 44.2 mt -64.69 -31.75 73.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.341 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 112' ' ' ARG . 86.5 t -78.23 -32.29 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.938 0.399 . . . . 0.0 110.975 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -74.98 -28.31 60.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.243 -176.418 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HE2' ' HB2' ' A' ' 89' ' ' ASP . 20.9 ptp . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.7 0.286 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -117.37 -179.21 3.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.4 mm -64.47 -31.03 51.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.2 -173.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -63.05 -47.66 82.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.544 0.212 . . . . 0.0 110.924 -175.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.07 -41.93 99.54 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.249 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.64 -41.53 86.22 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.628 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.99 -45.47 92.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.995 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -58.78 -39.39 80.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.03 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -61.81 -45.04 95.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.649 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.0 m -61.92 -36.35 81.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.284 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 30.9 mmt -70.23 -18.05 63.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 111.12 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.16 59.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.219 0.533 . . . . 0.0 110.482 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 72.8 mmtt -94.64 117.04 66.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 24.3 Cg_exo -61.93 113.47 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.683 2.255 . . . . 0.0 111.968 -177.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 112.06 -18.3 23.91 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 176.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.97 113.97 12.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.703 0.287 . . . . 0.0 110.47 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -113.9 154.71 27.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.303 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.3 140.2 29.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.118 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.1 m -147.57 109.39 4.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.714 0.292 . . . . 0.0 110.944 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -95.86 124.14 48.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.268 0.556 . . . . 0.0 110.12 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -101.25 121.74 42.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.019 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -70.84 96.35 1.25 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.942 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 175.12 -71.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -80.8 -22.4 40.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.445 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.4 tttt 67.04 19.18 10.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.84 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 169.69 11.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.9 m -110.32 117.87 34.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.129 0.49 . . . . 0.0 110.324 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -92.06 131.73 37.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.068 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.9 mt -104.13 110.11 29.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.57 162.22 33.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.39 -175.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -94.57 -134.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.411 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 21.5 mm-40 -56.34 -66.38 0.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.075 0.464 . . . . 0.0 111.338 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -135.77 8.61 3.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.672 0.749 . . . . 0.0 109.597 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.14 103.71 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.109 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.8 tp -84.07 128.43 34.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 37.0 p90 -119.8 -34.44 3.75 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.351 -0.54 . . . . 0.0 112.387 -177.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.33 158.64 43.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.766 0.317 . . . . 0.0 111.097 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.2 ptp -147.02 130.32 16.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.382 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.18 121.91 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.98 117.92 14.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.626 -173.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -78.56 124.46 28.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.786 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.91 136.82 19.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 66.04 31.49 8.96 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 67.0 31.13 7.14 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.543 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -144.54 110.26 4.9 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.775 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.598 ' HA ' ' HA ' ' A' ' 41' ' ' GLU . 14.7 Cg_exo -68.52 114.92 3.65 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.733 2.289 . . . . 0.0 111.473 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.83 155.11 45.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.441 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.97 134.5 59.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.124 0.487 . . . . 0.0 110.458 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 79' ' ' SER . 18.3 m -103.0 122.64 45.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.746 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 50' ' ' LEU . 6.2 mp -110.04 178.95 4.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.387 177.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 36' ' ' PHE . 99.6 mttt -91.6 176.85 6.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.883 0.373 . . . . 0.0 110.595 177.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -72.82 89.55 1.38 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.182 173.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.788 ' HB2' HD23 ' A' ' 56' ' ' LEU . 11.8 m -113.45 165.06 14.16 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.3 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 53' ' ' SER . 40.3 Cg_exo -36.06 -67.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.743 2.962 . . . . 0.0 114.389 -176.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -67.04 -34.65 78.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 53' ' ' SER . 3.6 mm? -68.57 -41.36 79.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.902 0.382 . . . . 0.0 110.935 -177.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.46 -47.54 72.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.009 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -60.05 -38.66 83.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.167 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.612 HD12 ' HG3' ' A' ' 63' ' ' GLN . 45.7 tp -52.42 -50.96 61.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.663 175.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.03 -30.05 68.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.052 0.453 . . . . 0.0 111.054 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -73.26 -44.11 59.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.603 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.95 -50.63 4.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.612 ' HG3' HD12 ' A' ' 59' ' ' LEU . 15.1 mm100 -74.69 97.76 3.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 0.0 111.037 -174.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 -85.45 -20.84 29.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.643 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.7 m -104.86 -177.6 3.41 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.394 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.51 -71.9 0.11 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.53 0.519 . . . . 0.0 112.175 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.24 124.78 22.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.737 0.78 . . . . 0.0 111.408 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 68' ' ' ARG . 1.9 mmp_? -113.82 102.48 54.85 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.071 175.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.27 89.09 0.47 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.664 2.242 . . . . 0.0 112.16 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.498 ' HB2' ' HE1' ' A' ' 82' ' ' TYR . 20.6 t -92.43 69.1 4.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.659 0.742 . . . . 0.0 109.708 -178.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HB3' ' HD2' ' A' ' 75' ' ' LYS . 23.4 tpt180 -124.69 109.52 13.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.815 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -83.94 -15.69 46.96 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.1 mt -89.59 -158.33 0.51 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.313 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -50.2 113.8 0.95 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HD2' ' HB3' ' A' ' 71' ' ' ARG . 7.3 mmmm -75.06 -51.86 12.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.749 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.52 66.11 9.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.043 0.449 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -176.3 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.129 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -120.63 136.84 54.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.365 176.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' SER . 17.5 m -125.2 126.41 45.18 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.446 0.641 . . . . 0.0 110.132 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.1 m -94.26 114.63 26.76 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.507 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.447 HG11 HD12 ' A' ' 87' ' ' LEU . 59.1 t -87.48 116.1 29.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.199 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' HE1' ' HB2' ' A' ' 70' ' ' SER . 0.7 OUTLIER -71.88 118.38 14.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.891 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.4 mt -86.98 12.64 10.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.434 0.635 . . . . 0.0 109.953 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -83.96 72.18 10.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.054 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.38 38.51 95.03 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.462 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 t -109.52 -81.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.79 0.295 . . . . 0.0 110.667 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.447 HD12 HG11 ' A' ' 81' ' ' VAL . 74.8 mt -87.19 144.12 35.7 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 120.699 0.285 . . . . 0.0 110.783 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.95 166.26 29.63 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.775 2.317 . . . . 0.0 112.582 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.424 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 11.5 p-10 -67.25 -26.53 66.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.885 -178.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 p -68.84 -29.25 67.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.026 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.416 ' HG2' HD13 ' A' ' 87' ' ' LEU . 7.0 tp60 -70.51 -32.04 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.303 -178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 96' ' ' VAL . 49.8 mm -56.2 -41.82 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.203 -177.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -57.5 -42.81 83.49 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -71.53 -40.01 70.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.726 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.71 -43.96 97.84 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.352 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 92' ' ' ILE . 93.0 t -62.84 -52.38 60.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.035 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.54 -37.01 85.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.487 -177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.51 91.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.864 0.364 . . . . 0.0 111.093 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -76.07 -34.35 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.778 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.474 ' O ' HG23 ' A' ' 104' ' ' VAL . 54.4 t80 -73.14 -42.51 62.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.024 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -59.23 -50.29 74.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.79 0.328 . . . . 0.0 111.275 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 11.8 pt20 -59.7 -32.52 70.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.38 -42.41 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.626 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' ' 107' ' ' LEU . 84.5 t -62.43 -35.49 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.051 0.453 . . . . 0.0 110.681 178.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.77 -17.12 63.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.914 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 87.7 mt -97.54 -4.34 38.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.916 0.389 . . . . 0.0 110.555 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 104' ' ' VAL . 94.4 mt -84.6 151.43 58.6 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.629 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.33 169.74 17.67 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.904 2.402 . . . . 0.0 112.78 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -49.13 69.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.421 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -52.14 -53.25 45.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.716 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 13.9 mptt -63.08 -43.34 98.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.831 -173.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 112' ' ' ARG . 18.1 mtm180 -62.94 -41.69 99.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -69.48 -32.16 70.89 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.739 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.77 -40.88 79.49 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 79.3 mt -59.98 -34.66 73.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 112' ' ' ARG . 52.6 t -70.2 -29.25 38.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.294 0.569 . . . . 0.0 110.854 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -76.45 -28.85 56.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.119 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.109 -175.029 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.99 148.58 27.54 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 46' ' ' PRO . 41.0 mm -63.16 -29.97 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.411 -176.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -58.36 -38.51 77.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.788 0.328 . . . . 0.0 110.706 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.88 -41.33 82.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.207 0.527 . . . . 0.0 110.278 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.46 -42.17 99.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.681 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 88.9 mt -64.44 -40.11 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.05 -39.65 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.942 0.401 . . . . 0.0 109.925 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -64.7 -35.66 81.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.935 177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.9 m -73.04 -27.02 61.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 110.846 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 1.6 mmt -71.36 -11.73 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.839 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.7 -1.02 57.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.526 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -96.3 115.74 65.77 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.03 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.94 131.82 26.54 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.912 2.408 . . . . 0.0 112.251 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.82 -0.15 89.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.561 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.07 125.34 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.007 0.432 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -106.65 124.24 49.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.723 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.13 120.47 37.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.159 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 m -125.74 104.36 8.31 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.397 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.609 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 5.5 p -79.92 123.12 36.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.127 0.489 . . . . 0.0 109.754 175.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -98.81 137.49 37.31 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -70.95 -169.36 0.35 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 73.07 -66.28 0.32 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.577 0.751 . . . . 0.0 109.937 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -94.95 -16.29 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.5 mttt 59.52 26.49 15.48 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.546 0.689 . . . . 0.0 110.587 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.57 127.08 32.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.073 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.609 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 16.6 m -89.8 117.37 28.59 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.893 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -95.44 128.65 42.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.598 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 mt -103.84 113.12 39.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CE ' ' HA ' ' A' ' 33' ' ' ASP . 22.3 ptmt -131.52 163.82 27.17 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.443 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -90.28 -134.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -48.01 -63.1 1.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.164 0.507 . . . . 0.0 109.958 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.7 t70 -145.9 8.75 1.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.712 0.768 . . . . 0.0 109.46 170.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.6 t -85.74 105.99 14.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.424 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 tp -86.81 127.25 35.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.831 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -118.85 -32.43 4.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.009 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.67 162.77 39.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.728 0.299 . . . . 0.0 110.854 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -156.21 146.57 21.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.479 HG21 HD12 ' A' ' 3' ' ' ILE . 7.5 p -105.0 127.76 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.083 0.468 . . . . 0.0 110.422 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -121.04 123.35 42.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.86 111.89 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -146.02 128.61 9.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.085 -177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.9 OUTLIER 63.39 31.35 15.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.699 178.734 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 8.1 t30 78.48 -2.69 2.35 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.981 0.8 . . . . 0.0 110.865 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -100.0 111.16 61.57 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.674 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' HB2' HD11 ' A' ' 3' ' ' ILE . 58.1 Cg_endo -83.7 107.39 1.36 Allowed 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.379 2.053 . . . . 0.0 110.537 172.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 82' ' ' TYR . . . -124.34 163.02 22.58 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.358 -173.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.49 132.24 66.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.099 0.476 . . . . 0.0 110.856 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 20.4 m -97.75 129.29 44.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.119 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.37 163.36 12.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.991 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' HG2' ' H ' ' A' ' 52' ' ' THR . 60.8 tttt -92.4 -144.95 0.21 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.985 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.478 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 17.4 p -76.61 73.24 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.282 0.563 . . . . 0.0 109.785 174.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.466 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 15.2 m -109.79 140.31 22.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.599 -173.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 22.4 Cg_exo -65.85 -22.17 56.73 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.104 2.536 . . . . 0.0 111.989 176.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 94' ' ' TYR . 9.6 mp0 -54.31 -41.57 69.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.12 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.82 -32.59 73.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.979 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.21 -35.13 63.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.934 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -62.55 -46.21 89.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.347 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.3 mt -52.31 -47.87 65.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.117 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 60' ' ' LEU . 6.7 tt -55.3 -36.99 66.78 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.644 0.59 . . . . 0.0 111.761 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -75.41 -25.59 57.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.385 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.25 -59.95 1.73 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.141 -175.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -116.22 -173.26 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 65' ' ' SER . 47.8 m80 -140.68 177.95 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 71.3 m 69.8 14.24 8.04 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.481 0.657 . . . . 0.0 109.994 -173.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' OD2' HG23 ' A' ' 67' ' ' VAL . 12.3 p-10 -97.48 178.42 5.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.546 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.441 HG23 ' OD2' ' A' ' 66' ' ' ASP . 53.6 t 52.17 76.63 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 121.491 0.662 . . . . 0.0 111.203 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -109.88 102.87 51.96 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 79' ' ' SER . 22.4 Cg_endo -61.44 -37.66 69.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 123.013 2.476 . . . . 0.0 113.307 -173.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.7 m 57.46 78.91 0.21 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -168.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.09 9.07 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.72 -168.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -70.45 -28.0 64.68 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 171.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.3 mt -86.64 -78.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.709 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -166.98 113.01 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -51.21 -62.3 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.786 0.679 . . . . 0.0 112.59 -168.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.1 78.46 1.52 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.166 0.508 . . . . 0.0 111.058 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -170.97 -44.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.333 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -124.35 127.16 47.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.627 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 69' ' ' PRO . 32.2 t -127.16 136.46 52.11 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.572 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 9.4 m -107.93 128.93 55.07 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.988 0.423 . . . . 0.0 111.5 -173.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.69 103.84 15.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.539 ' CE1' ' HB ' ' A' ' 80' ' ' THR . 78.7 m-85 -85.6 128.43 34.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.743 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.15 34.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.31 0.576 . . . . 0.0 110.615 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 82' ' ' TYR . 36.8 t70 -85.48 -14.12 47.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.091 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.22 -147.99 11.75 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.645 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.9 m -85.33 85.83 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.851 0.357 . . . . 0.0 111.153 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.07 112.8 31.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.429 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -74.09 161.09 41.66 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.771 2.314 . . . . 0.0 112.248 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.68 -39.57 84.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.053 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.6 m -62.55 -28.81 70.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.409 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -70.12 -33.08 71.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.033 0.444 . . . . 0.0 110.697 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.56 -38.44 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.782 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -59.85 -49.49 77.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 55' ' ' GLU . 77.0 t80 -64.28 -44.48 91.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.067 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.9 mt -56.45 -42.59 78.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.86 0.362 . . . . 0.0 111.263 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.37 -52.86 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.479 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -70.27 -34.66 73.06 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -60.05 -35.69 75.69 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.058 0.456 . . . . 0.0 110.397 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.9 m -70.74 -30.26 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.25 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 104' ' ' VAL . 52.9 t80 -66.79 -45.18 79.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.337 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.43 -34.78 67.14 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.569 0.223 . . . . 0.0 111.187 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 26.2 mt-30 -60.79 -46.39 90.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.9 -40.8 75.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.087 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 100' ' ' TYR . 74.9 t -58.19 -45.62 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.302 -176.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.02 -16.61 59.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.85 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.0 mt -93.16 -4.86 51.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.19 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 84.6 mt -69.65 139.59 88.91 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 0.0 111.064 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.512 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 17.1 Cg_exo -68.97 -179.32 2.48 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 123.326 2.684 . . . . 0.0 113.169 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -45.46 -64.2 0.78 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.804 -1.089 . . . . 0.0 112.289 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -49.31 -52.99 24.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.092 -175.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.512 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 3.4 mptp? -63.09 -48.7 77.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.911 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.2 mmt180 -56.62 -44.41 81.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.936 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.808 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 8.1 mmpt? -53.8 -44.99 70.62 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 111.647 -177.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -36.36 82.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 -177.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 80.1 mt -77.7 -26.68 50.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.774 -175.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.1 t -80.54 -37.75 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.759 0.314 . . . . 0.0 111.232 -177.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -72.93 -28.53 62.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.795 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.753 -0.641 . . . . 0.0 110.457 179.079 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.8 p -99.96 155.83 17.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.083 0.468 . . . . 0.0 111.618 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.574 HD13 ' HB ' ' A' ' 39' ' ' VAL . 65.2 mt -64.38 -33.02 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.999 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.5 t -54.38 -41.77 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.885 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.71 -41.85 68.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.453 0.644 . . . . 0.0 109.875 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.2 -36.46 83.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.789 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 47.0 mt -54.47 -41.99 70.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.121 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -72.31 -33.07 67.1 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.533 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.65 -32.22 73.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.447 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.0 m -59.92 -35.11 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.855 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 94.1 mmm -76.87 -10.94 59.71 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.737 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.99 -6.55 57.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 9.1 mmpt? -96.68 108.08 40.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 176.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' O ' HD22 ' A' ' 115' ' ' LEU . 24.3 Cg_endo -62.0 107.79 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.632 2.221 . . . . 0.0 112.537 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 -3.43 18.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.657 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.54 117.37 31.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.752 0.31 . . . . 0.0 111.04 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -106.0 146.53 29.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.311 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -89.95 119.87 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.578 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -112.31 107.65 16.57 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.009 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.44 145.84 8.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.076 0.465 . . . . 0.0 111.143 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.56 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 11.3 m80 -126.73 162.49 25.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.319 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -82.23 -174.74 5.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.125 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.2 t70 77.96 -62.58 0.36 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.077 0.951 . . . . 0.0 111.781 177.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.56 ' HD1' ' H ' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -122.99 4.22 9.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.702 0.287 . . . . 0.0 111.342 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 42.9 tttp 57.58 38.03 27.73 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.58 172.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' HB1' ' HG3' ' A' ' 40' ' ' LYS . . . -68.09 140.64 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.617 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -111.04 118.45 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.111 0.481 . . . . 0.0 110.693 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 38' ' ' MET . 49.7 mt-30 -100.94 133.46 45.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.182 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.2 mt -104.72 108.83 25.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HD2' ' O ' ' A' ' 31' ' ' VAL . 3.9 pptp? -143.8 154.8 43.79 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.742 -175.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.586 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 2.2 t -81.95 -131.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.194 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -48.64 -67.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.098 0.475 . . . . 0.0 110.028 171.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.75 9.26 1.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.968 0.889 . . . . 0.0 109.102 170.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.85 97.69 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.496 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.8 tp -85.89 111.16 19.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.726 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' HD1' ' HB3' ' A' ' 99' ' ' SER . 35.1 p90 -109.2 -12.84 14.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.657 -176.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.37 149.98 2.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.496 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.416 ' HB2' ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -146.56 136.85 23.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.043 0.449 . . . . 0.0 110.381 174.639 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.574 ' HB ' HD13 ' A' ' 3' ' ' ILE . 15.7 m -105.91 138.4 31.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.898 -176.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HD3' ' C ' ' A' ' 39' ' ' VAL . 3.3 mppt? -134.36 123.55 24.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.708 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -79.07 110.76 14.61 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 169.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.454 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.5 p -127.82 121.57 56.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.794 -178.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HG3' HG22 ' A' ' 42' ' ' VAL . 31.1 mt-10 62.17 22.66 13.3 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.752 -177.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t30 66.23 21.07 11.09 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.272 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -115.21 119.87 37.76 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.86 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HB3' HG13 ' A' ' 3' ' ' ILE . 21.5 Cg_endo -61.48 117.9 4.74 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.96 2.44 . . . . 0.0 113.012 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.45 130.67 46.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.0 110.944 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -123.7 158.11 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.015 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 79' ' ' SER . 20.3 m -131.45 129.59 41.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 95' ' ' LEU . 6.8 mp -122.43 -83.64 0.66 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.23 0.331 . . . . 0.0 111.557 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.839 ' HD3' ' H ' ' A' ' 52' ' ' THR . 6.5 tmtt? 68.57 174.84 0.28 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.697 0.623 . . . . 0.0 109.408 -174.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.839 ' H ' ' HD3' ' A' ' 51' ' ' LYS . 4.0 m 61.72 26.7 16.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.8 0.81 . . . . 0.0 111.323 175.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 2.5 p -138.21 130.93 16.31 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.328 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 73.7 Cg_exo -51.87 -55.32 4.02 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.388 2.725 . . . . 0.0 113.882 -173.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.87 -41.47 99.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.131 -176.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.77 -38.78 87.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.844 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.59 84.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.211 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -72.97 -44.56 60.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.043 0.449 . . . . 0.0 110.392 176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.443 ' HG ' HG11 ' A' ' 67' ' ' VAL . 38.9 tp -52.72 -46.21 67.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.278 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HA ' HG13 ' A' ' 67' ' ' VAL . 4.6 pp -71.99 -28.62 63.52 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.967 0.413 . . . . 0.0 111.182 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.177 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.66 -54.05 4.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.399 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -82.39 128.12 33.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.704 0.287 . . . . 0.0 110.73 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.58 ' O ' ' HD3' ' A' ' 68' ' ' ARG . 22.3 m170 -122.69 -7.28 8.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.099 0.476 . . . . 0.0 110.046 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -94.21 -34.2 12.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.553 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.63 -87.42 0.26 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.291 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.443 HG11 ' HG ' ' A' ' 59' ' ' LEU . 3.8 p -76.0 124.83 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.994 0.426 . . . . 0.0 109.905 175.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.58 ' HD3' ' O ' ' A' ' 64' ' ' HIS . 12.2 ptt180 -170.72 158.47 5.59 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -174.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.64 88.41 0.76 Allowed 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.489 2.126 . . . . 0.0 110.892 171.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.0 t -82.68 10.53 7.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.038 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.658 ' O ' ' HD2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER 48.27 32.37 3.12 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.232 179.354 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -75.87 -16.93 59.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.871 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.42 HD21 ' CH2' ' A' ' 24' ' ' TRP . 76.4 mt -136.74 -60.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.095 176.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -147.12 168.96 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -85.19 -52.64 5.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.881 0.372 . . . . 0.0 111.307 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.28 99.97 4.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 111.278 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -175.98 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -119.05 -179.08 3.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.933 173.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 49' ' ' SER . 19.5 m -132.42 131.21 41.54 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.0 m -91.37 113.86 26.24 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.906 0.384 . . . . 0.0 110.809 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 t -109.65 118.99 58.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.453 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -89.64 115.09 26.76 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.927 0.394 . . . . 0.0 110.653 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . 47.1 mt -67.22 -26.87 66.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.911 0.862 . . . . 0.0 108.787 176.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.78 68.49 9.93 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.502 169.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.95 -140.74 2.95 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.617 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.7 t -87.06 -15.73 37.7 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 87' ' ' LEU . 3.6 mm? -76.45 126.3 86.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.598 0.237 . . . . 0.0 111.627 -176.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.17 160.56 26.47 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.966 2.444 . . . . 0.0 112.364 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.24 -50.59 49.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.037 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -56.07 -42.68 77.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.927 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.58 HE22 HD21 ' A' ' 95' ' ' LEU . 20.4 tm0? -69.47 -37.25 77.22 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.515 HD13 HD22 ' A' ' 83' ' ' LEU . 79.5 mt -63.28 -41.06 91.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.042 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -62.44 -37.16 84.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.042 0.449 . . . . 0.0 110.179 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -64.37 -42.01 96.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.582 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.66 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.5 mt -58.18 -55.29 36.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.792 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.69 -45.64 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.056 0.455 . . . . 0.0 111.237 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.67 -31.5 70.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.12 82.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.783 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.455 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 66.4 m -62.7 -34.69 77.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.062 0.458 . . . . 0.0 110.648 176.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' O ' HG23 ' A' ' 104' ' ' VAL . 44.2 t80 -69.41 -45.89 68.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.21 175.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -41.42 94.49 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.032 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 99' ' ' SER . 19.7 pt20 -64.97 -31.63 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.768 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -72.97 -29.67 63.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.811 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 100' ' ' TYR . 88.5 t -62.94 -38.77 82.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.829 -177.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -76.97 -17.12 59.09 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.852 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.6 mt -81.57 -32.48 32.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 98.7 mt -74.03 140.42 77.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.56 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 5.6 Cg_exo -80.9 -176.97 3.42 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.886 2.391 . . . . 0.0 113.219 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -47.14 -51.35 18.37 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.298 177.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -48.65 -52.65 22.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.936 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.63 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 14.0 mptt -69.17 -42.58 75.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.263 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 116' ' ' VAL . 14.0 mtp180 -61.35 -37.18 82.39 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.123 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.711 ' HA ' ' HE3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -58.16 -32.37 68.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.155 0.503 . . . . 0.0 110.823 179.118 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 93.3 mt -81.91 -46.58 13.87 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.985 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 62.9 mt -57.49 -32.64 67.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.188 -175.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 112' ' ' ARG . 88.6 t -68.52 -41.36 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.014 0.435 . . . . 0.0 110.659 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -77.23 -29.18 53.98 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.203 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 87.0 mt . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.732 -0.651 . . . . 0.0 111.674 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 ttm . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.1 -0.334 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.9 p -100.39 169.86 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.867 0.365 . . . . 0.0 111.187 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.54 HD11 ' HB3' ' A' ' 46' ' ' PRO . 46.4 mm -68.9 -24.57 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.316 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -59.84 -43.67 94.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.345 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -59.97 -45.66 91.96 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.28 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.6 -49.69 70.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.206 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.8 tm? -55.96 -49.34 73.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.66 -177.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.94 -43.04 99.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.943 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -68.47 -32.47 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.851 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.5 m -67.84 -34.42 76.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.633 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.3 mtp -75.61 -13.32 60.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 110.556 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.34 1.1 52.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.487 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -93.47 109.36 40.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.91 112.59 1.33 Allowed 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.583 2.189 . . . . 0.0 112.387 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.03 -13.26 24.19 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.18 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.09 128.22 45.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.095 0.474 . . . . 0.0 110.521 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -124.94 147.66 48.76 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -110.6 152.13 26.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.243 0.544 . . . . 0.0 110.958 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -138.59 103.79 4.95 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.441 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 3.5 p -97.74 123.86 50.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.317 0.579 . . . . 0.0 110.633 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -107.73 97.04 6.81 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -66.39 133.5 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.173 0.511 . . . . 0.0 111.557 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 173.12 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -144.53 32.76 1.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.288 172.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HD3' ' HB3' ' A' ' 41' ' ' GLU . 9.5 mptt 58.53 40.79 23.44 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.213 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.903 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . . . -76.01 97.57 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.659 177.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 9.4 m -109.35 118.31 36.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.528 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.424 ' HB3' HD13 ' A' ' 35' ' ' LEU . 91.5 mt-30 -99.83 113.28 25.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.379 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.1 mt -98.66 114.82 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 33' ' ' ASP . 60.8 pttt -148.92 169.16 21.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.242 0.544 . . . . 0.0 111.908 -171.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.12 -131.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -38.79 -66.06 0.31 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.539 0.685 . . . . 0.0 110.087 172.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 25.6 t70 -154.06 19.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.276 169.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 t -80.98 94.76 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.959 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.534 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 56.5 tp -79.25 101.73 8.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -96.59 -27.77 14.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.166 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.37 132.1 14.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.964 0.411 . . . . 0.0 110.73 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.625 ' HG3' ' HB2' ' A' ' 49' ' ' SER . 6.0 ptt? -133.18 122.01 23.39 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.492 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 14.4 p -102.71 140.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.986 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.903 ' HG3' ' HA ' ' A' ' 26' ' ' ALA . 3.7 mppt? -138.82 161.34 37.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.954 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 25' ' ' LYS . 2.1 tm-20 -125.37 113.73 17.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 175.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.99 107.82 20.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.25 0.547 . . . . 0.0 111.185 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 60.03 47.05 10.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.133 173.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.6 t30 79.12 2.49 2.38 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.684 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -108.2 107.81 60.57 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.936 0.398 . . . . 0.0 111.268 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' HB3' HD11 ' A' ' 3' ' ' ILE . 8.1 Cg_exo -72.78 122.08 7.89 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.938 2.426 . . . . 0.0 111.082 174.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.55 128.72 41.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.06 130.25 71.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.087 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.625 ' HB2' ' HG3' ' A' ' 38' ' ' MET . 19.2 m -104.53 116.85 32.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.78 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 95' ' ' LEU . 5.1 mp -101.44 164.69 11.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.417 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' A' ' 35' ' ' LEU . 56.1 mttm -81.45 155.22 25.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 169.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.1 m -55.6 113.7 1.56 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.044 0.45 . . . . 0.0 110.805 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.76 ' HB2' HD23 ' A' ' 56' ' ' LEU . 23.0 m -121.5 149.61 52.91 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.929 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -52.15 -47.64 25.72 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.908 2.405 . . . . 0.0 112.414 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 41.5 mt-10 -70.48 -34.99 73.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.37 -177.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.76 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -67.7 -40.16 84.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.021 0.438 . . . . 0.0 110.275 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.5 -34.38 70.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.467 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -56.81 -53.61 55.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.146 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 99.5 mt -55.84 -51.54 67.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.46 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.1 tp -66.52 -31.05 71.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 111.601 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -71.78 -38.28 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.881 0.372 . . . . 0.0 110.797 -176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.46 -45.0 7.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.684 -176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -94.11 121.28 35.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -96.05 124.9 40.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.531 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 t 68.26 -170.7 0.19 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.492 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 71.79 -39.63 0.45 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.236 1.015 . . . . 0.0 111.945 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.93 -29.13 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 171.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 71.14 113.9 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.261 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.166 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.61 153.01 79.51 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.749 2.299 . . . . 0.0 112.537 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 m -60.66 136.08 57.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.603 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -127.71 -45.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.794 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -83.25 -23.36 32.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.71 62.98 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.776 0.322 . . . . 0.0 110.844 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 65.3 155.16 0.08 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.82 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -86.78 -24.99 24.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.088 -0.383 . . . . 0.0 111.319 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.94 172.17 10.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.129 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.8 m170 70.88 -53.15 0.67 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.372 0.669 . . . . 0.0 110.457 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -96.13 141.54 29.38 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 49' ' ' SER . 11.0 m -125.67 124.44 41.13 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.8 m -113.92 113.82 25.38 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.555 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.7 t -92.09 114.42 29.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.141 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -88.54 106.13 18.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.586 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 68.3 mt -59.23 -55.7 31.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.943 -176.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.0 t0 59.68 12.99 3.17 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.572 175.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.75 9.44 86.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.807 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -123.42 24.69 8.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.442 . . . . 0.0 110.847 -177.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -112.2 121.2 39.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -179.356 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 87' ' ' LEU . 2.4 Cg_endo -47.07 129.91 15.75 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.491 2.794 . . . . 0.0 113.148 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -53.43 -46.77 69.94 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.552 -173.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.5 m -72.65 -28.52 62.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.769 0.319 . . . . 0.0 111.542 -173.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.565 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.2 mm-40 -70.24 -31.83 69.41 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.726 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.2 -48.56 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -65.25 -38.91 91.81 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.076 0.465 . . . . 0.0 110.486 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -60.51 -40.39 91.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.937 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.671 ' HB3' HD21 ' A' ' 50' ' ' LEU . 81.0 mt -64.06 -38.77 92.27 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.73 -53.78 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.717 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.98 -34.39 77.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.513 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.62 -38.81 85.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.934 0.397 . . . . 0.0 110.76 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.4 m -77.36 -39.37 47.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.432 ' O ' HG23 ' A' ' 104' ' ' VAL . 51.2 t80 -65.95 -47.62 74.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.274 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -58.46 -50.16 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -62.52 -32.65 73.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.142 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.4 -37.98 77.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.781 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 100' ' ' TYR . 99.2 t -64.94 -36.56 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.46 -16.83 63.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.263 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.07 -4.75 42.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.76 0.314 . . . . 0.0 111.193 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 97.0 mt -84.54 146.39 46.98 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.675 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -72.5 168.16 25.09 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.952 2.435 . . . . 0.0 113.001 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.688 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.1 tp10 -45.27 -58.39 3.32 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.802 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -48.11 -49.17 32.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.386 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -70.97 -42.42 69.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.25 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 116' ' ' VAL . 55.5 mtp180 -65.35 -26.26 67.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.813 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.801 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 7.4 mmpt? -55.75 -41.47 74.0 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-O 120.976 0.417 . . . . 0.0 110.967 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.75 -45.07 72.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.534 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.08 -31.7 71.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.885 -175.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 112' ' ' ARG . 75.5 t -80.75 -34.7 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -74.3 -28.74 61.32 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.471 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.61 179.743 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HE2' ' HB2' ' A' ' 89' ' ' ASP . 58.4 ttp . . . . . 0 N--CA 1.481 1.125 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -113.21 -177.66 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.179 0.514 . . . . 0.0 111.116 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.566 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 47.4 mm -68.74 -24.03 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.332 177.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 m -57.6 -34.59 69.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.321 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.1 -36.52 64.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.299 0.571 . . . . 0.0 110.195 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.12 -31.74 64.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.11 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 89.0 mt -55.28 -45.44 76.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.233 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -69.8 -34.36 73.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.59 -31.83 70.22 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.266 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.6 m -66.98 -19.04 65.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.546 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 mmt -78.89 -11.83 60.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.168 0.508 . . . . 0.0 109.832 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.9 -2.12 53.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.54 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -98.61 106.07 34.29 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.213 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.485 ' O ' HD22 ' A' ' 115' ' ' LEU . 19.2 Cg_endo -57.94 117.51 4.23 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.765 2.31 . . . . 0.0 113.064 -175.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 115.54 -21.96 12.33 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.05 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.39 120.02 25.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.818 0.342 . . . . 0.0 111.457 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 151.97 36.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.548 ' HG2' HG12 ' A' ' 29' ' ' ILE . 65.5 mt-30 -122.33 132.29 54.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.361 . . . . 0.0 111.402 -174.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.7 m -142.15 128.47 19.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.669 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 3.9 p -91.83 130.36 41.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -116.04 162.42 17.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -58.14 -25.84 61.93 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -66.75 100.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.53 0.205 . . . . 0.0 110.817 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 13.1 m0 64.62 8.51 4.46 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.802 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 mttp 57.86 31.22 20.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.157 0.503 . . . . 0.0 110.418 -175.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.28 139.59 34.09 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.634 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 43.1 m -99.87 118.89 37.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.114 0.483 . . . . 0.0 109.894 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.23 135.72 37.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.646 -176.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.548 HG12 ' HG2' ' A' ' 18' ' ' GLN . 53.0 mt -108.93 113.87 45.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.72 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.84 168.51 19.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.399 -176.443 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.57 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 2.2 t -79.78 -133.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 33' ' ' ASP . 6.9 pt-20 -58.82 -63.85 1.15 Allowed 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.94 -0.475 . . . . 0.0 110.2 173.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.582 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 28.7 t70 -140.3 18.64 2.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.775 0.798 . . . . 0.0 109.887 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.3 t -98.61 101.07 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.822 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.72 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 7.8 tt -86.54 124.48 32.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.804 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -126.74 -21.25 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.692 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -139.37 150.89 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 111.083 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.623 ' HG2' ' HB3' ' A' ' 49' ' ' SER . 26.8 ptm -153.88 140.82 19.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.718 177.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.67 124.12 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.279 0.562 . . . . 0.0 110.587 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HD3' HG21 ' A' ' 80' ' ' THR . 9.6 ptmm? -129.85 135.29 48.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.422 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -99.89 130.62 46.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.041 0.448 . . . . 0.0 110.77 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -149.84 143.13 17.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 171.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 34.3 tt0 64.24 19.59 11.84 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -174.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 65.1 18.65 11.55 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.362 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 mpt_? -112.95 133.64 21.95 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.379 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 2.8 Cg_exo -76.89 129.82 10.95 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.951 2.434 . . . . 0.0 112.119 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.515 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -122.7 142.43 50.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.831 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.04 133.58 64.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.056 0.455 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.623 ' HB3' ' HG2' ' A' ' 38' ' ' MET . 8.8 t -111.34 130.81 55.56 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.479 HD21 ' HB3' ' A' ' 95' ' ' LEU . 5.6 mp -105.33 35.28 2.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.806 -171.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HA ' ' CZ3' ' A' ' 78' ' ' TRP . 7.6 tmtt? 52.5 52.88 13.25 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.401 0.62 . . . . 0.0 109.89 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 m 73.7 -71.23 0.14 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.516 -177.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.4 t 64.58 114.91 0.02 OUTLIER Pre-proline 0 C--O 1.234 0.287 0 O-C-N 123.832 0.707 . . . . 0.0 111.185 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 32.4 Cg_exo -60.26 -19.76 59.13 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.859 2.373 . . . . 0.0 112.299 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -77.18 -47.21 20.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.647 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.62 -35.17 70.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.155 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.33 85.96 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 54' ' ' PRO . 42.6 mm-40 -63.75 -50.9 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.1 tp -52.97 -44.23 67.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.864 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 64' ' ' HIS . 38.5 tp -65.41 -37.65 87.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.178 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -66.14 -49.1 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.984 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -62.56 -65.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.71 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -129.2 99.13 5.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.055 0.455 . . . . 0.0 111.158 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.462 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 12.9 p-80 -105.2 58.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.57 0.7 . . . . 0.0 110.875 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 32.4 m -128.36 149.2 50.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.864 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' A' ' 65' ' ' SER . 29.1 t70 73.54 -44.95 0.6 Allowed 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.712 0.632 . . . . 0.0 110.892 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.2 p -77.53 142.69 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -111.56 104.0 55.66 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 120.642 0.258 . . . . 0.0 111.662 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -81.07 91.63 1.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.597 2.198 . . . . 0.0 111.743 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.7 t -117.92 108.98 15.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HB3' ' HA ' ' A' ' 75' ' ' LYS . 11.0 tpt180 -148.21 104.81 3.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.488 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -73.01 -30.42 63.76 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.7 mt -57.08 -71.59 0.09 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.098 0.475 . . . . 0.0 109.945 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' OD1' ' HB2' ' A' ' 77' ' ' HIS . 2.1 t-20 -151.67 111.14 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 171.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 5.0 tmmm? -61.1 -35.82 78.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.424 -176.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.47 22.53 4.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.435 ' HB2' ' OD1' ' A' ' 74' ' ' ASN . 10.5 t-160 -122.61 -60.09 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.732 0.301 . . . . 0.0 110.348 176.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.515 ' CZ3' ' HA ' ' A' ' 51' ' ' LYS . 59.7 m95 -98.56 153.62 18.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.905 0.383 . . . . 0.0 110.366 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -125.33 126.35 44.93 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.515 HG22 ' HB1' ' A' ' 47' ' ' ALA . 16.4 m -123.14 122.67 39.02 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.356 -175.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.0 t -103.29 130.16 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.427 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.487 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 44.5 m-85 -97.66 132.75 43.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.608 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.51 42.14 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.078 0.466 . . . . 0.0 110.9 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -88.02 70.12 9.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.271 0.558 . . . . 0.0 110.743 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.93 -35.24 1.44 Allowed Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.594 -0.73 . . . . 0.0 113.937 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.59 ' HB2' HD22 ' A' ' 87' ' ' LEU . 14.6 m -59.08 -38.27 79.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -174.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 86' ' ' SER . 3.1 mm? -100.73 118.31 60.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.608 0.242 . . . . 0.0 111.208 -173.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.75 159.17 52.57 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.906 2.404 . . . . 0.0 110.95 173.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.468 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 1.2 p-10 -64.1 -30.52 71.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.519 0.199 . . . . 0.0 110.836 -174.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.5 t -63.64 -39.48 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.941 0.401 . . . . 0.0 110.466 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.502 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.5 mm-40 -69.83 -32.84 71.46 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.44 -38.81 77.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.482 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -63.39 -47.42 82.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.378 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.08 -45.59 91.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.15 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 87.5 mt -55.63 -54.74 40.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.682 0.277 . . . . 0.0 111.223 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.8 -43.79 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 33.5 t70 -68.27 -35.15 77.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.955 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.627 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -58.19 -54.71 43.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.604 178.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 p -61.1 -30.9 70.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.127 0.489 . . . . 0.0 110.715 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.45 ' O ' HG23 ' A' ' 104' ' ' VAL . 87.6 t80 -67.04 -46.02 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.329 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 16.8 mm100 -58.62 -44.46 89.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.526 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 69.0 mt-30 -59.46 -46.97 87.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.342 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.23 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.382 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 100' ' ' TYR . 98.6 t -61.18 -39.15 81.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.927 0.394 . . . . 0.0 111.002 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -68.4 -18.61 64.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.549 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 99.2 mt -88.14 -10.4 50.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.839 0.352 . . . . 0.0 110.946 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.26 148.37 49.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.613 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.29 170.45 15.97 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.734 2.289 . . . . 0.0 112.719 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 20.3 mm-40 -49.72 -45.06 48.72 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.77 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -48.4 -51.48 26.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.712 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 12.3 mptt -73.53 -47.53 40.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 116' ' ' VAL . 21.3 mtm180 -59.12 -38.71 80.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' A' ' 117' ' ' GLN . 32.6 mmtp -65.28 -46.76 79.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.82 0.343 . . . . 0.0 110.506 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.5 mt -63.66 -39.55 94.62 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.891 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 48.7 mt -62.54 -29.91 70.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.332 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 112' ' ' ARG . 61.9 t -78.75 -29.06 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.166 0.508 . . . . 0.0 110.441 177.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 26.8 mm-40 -71.96 -28.95 63.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.469 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.906 -179.714 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.672 0.272 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.1 p -91.09 169.47 10.83 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 170.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.543 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 46.0 mm -63.97 -31.69 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -61.16 -43.54 98.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.55 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.92 -38.39 90.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.812 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.29 -46.31 80.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.945 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 90.0 mt -59.7 -44.38 93.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.84 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.19 -36.59 84.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.79 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -65.06 -33.96 77.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 110.37 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.09 -25.62 62.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.0 mmt -73.44 -21.11 60.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.2 -23.25 51.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.142 0.496 . . . . 0.0 110.504 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -85.41 117.34 68.56 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.68 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.71 137.74 46.74 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.761 2.307 . . . . 0.0 112.205 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.23 -20.83 34.71 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.369 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.41 115.11 20.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.878 0.371 . . . . 0.0 110.04 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -118.15 148.49 42.29 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.243 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -90.94 128.16 36.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.783 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.541 ' HB2' ' HB2' ' A' ' 28' ' ' GLN . 15.5 m -113.09 142.25 45.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.34 112.23 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.751 0.786 . . . . 0.0 110.696 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -104.37 112.57 25.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.119 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 62.3 t30 -60.95 164.65 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 39.2 t70 89.74 -32.81 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.333 1.053 . . . . 0.0 109.081 -169.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -116.17 -36.98 3.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.637 170.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.8 tttm 68.44 13.86 9.04 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.607 0.718 . . . . 0.0 110.943 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.12 178.76 4.82 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.599 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 m -102.59 132.88 48.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.158 0.504 . . . . 0.0 111.942 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.677 ' HG3' ' HG3' ' A' ' 38' ' ' MET . 2.5 mp0 -105.65 142.32 35.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.466 174.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.6 mp -114.93 110.74 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -138.44 162.3 34.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.051 0.453 . . . . 0.0 111.446 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -103.9 -133.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -44.51 -69.94 0.12 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.397 0.435 . . . . 0.0 110.849 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -138.64 3.09 2.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.982 0.896 . . . . 0.0 109.326 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.8 t -82.88 96.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.611 -175.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.4 tp -87.74 95.35 10.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -97.55 -21.35 17.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.872 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.82 126.11 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 0.0 111.316 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.677 ' HG3' ' HG3' ' A' ' 28' ' ' GLN . 41.3 ttp -144.79 120.12 10.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.391 176.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.472 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 9.9 p -86.88 144.25 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.084 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.576 ' HB2' ' NZ ' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -141.43 133.04 27.04 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -87.02 111.98 21.39 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' ' 43' ' ' GLU . 7.1 p -139.04 138.1 41.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.543 ' HG2' HG22 ' A' ' 42' ' ' VAL . 25.7 mm-40 64.46 33.64 10.91 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.414 0.626 . . . . 0.0 109.332 -174.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.0 t30 73.51 -6.2 1.82 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.155 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.584 ' HB2' ' HE2' ' A' ' 82' ' ' TYR . 4.7 mmp_? -114.18 140.24 24.73 Favored Pre-proline 0 C--N 1.323 -0.558 0 O-C-N 121.804 -0.56 . . . . 0.0 111.31 -177.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.87 117.41 5.14 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.731 2.287 . . . . 0.0 112.02 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.02 154.38 44.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.644 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -115.51 150.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.942 0.401 . . . . 0.0 110.303 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.0 m -134.87 118.36 16.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.305 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 6.5 mp -94.49 144.01 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 174.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -78.61 92.17 4.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.211 0.529 . . . . 0.0 110.159 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 15.0 m 71.35 -84.41 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.212 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.466 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 60.4 p 59.1 154.68 0.09 OUTLIER Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 124.373 1.069 . . . . 0.0 112.76 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.63 -39.96 4.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.653 2.235 . . . . 0.0 112.128 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.6 -48.4 72.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.705 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.557 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 17.2 mt -66.64 -32.56 73.96 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.77 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.38 -53.36 57.17 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.5 -48.86 78.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.995 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 tp -59.8 -28.7 67.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.562 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mp -67.27 -30.83 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.406 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -75.75 -49.58 17.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.963 0.411 . . . . 0.0 110.449 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -73.35 -35.72 66.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.747 -173.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 58.67 -157.35 0.32 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.621 0.368 . . . . 0.0 110.998 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 69.24 16.54 8.45 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.122 0.569 . . . . 0.0 111.336 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 p -111.06 6.16 20.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.428 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 t70 58.41 43.83 19.16 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.794 0.806 . . . . 0.0 110.203 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.546 ' HB ' HG13 ' A' ' 81' ' ' VAL . 7.5 p -99.74 135.11 36.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.954 177.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.479 ' HD3' ' HE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -122.11 127.81 25.78 Favored Pre-proline 0 C--N 1.322 -0.62 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.329 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -66.01 115.14 3.29 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.445 2.097 . . . . 0.0 110.097 170.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.9 t -80.83 112.95 18.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.899 0.381 . . . . 0.0 111.285 -171.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -72.47 -26.12 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.777 175.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -68.31 -27.34 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.025 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.455 HD11 ' HE2' ' A' ' 40' ' ' LYS . 92.0 mt -102.19 -77.53 0.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.662 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.725 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 61.5 t30 -167.49 105.29 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -52.02 -54.23 32.4 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -164.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.0 10.76 38.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -168.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.463 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 29.7 m80 -139.04 -22.94 0.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.175 -0.61 . . . . 0.0 112.597 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.725 ' HD1' ' HB3' ' A' ' 74' ' ' ASN . 91.8 m95 -115.49 125.02 52.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.878 0.37 . . . . 0.0 110.131 173.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.5 p -125.39 139.02 54.02 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.04 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.1 m -102.05 114.21 28.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.546 HG13 ' HB ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.69 133.33 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.584 ' HE2' ' HB2' ' A' ' 45' ' ' ARG . 31.2 m-85 -88.07 115.42 25.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.034 0.445 . . . . 0.0 112.041 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.647 HD22 HG12 ' A' ' 92' ' ' ILE . 94.2 mt -69.25 -31.72 70.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.692 175.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.433 ' OD2' ' HD3' ' A' ' 45' ' ' ARG . 32.4 t70 -85.03 77.16 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.897 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.05 -63.22 0.62 Allowed Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.877 175.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.7 m -69.62 -50.55 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.801 0.334 . . . . 0.0 111.877 -174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.434 HD21 ' CG1' ' A' ' 81' ' ' VAL . 3.6 mm? -93.18 135.19 25.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.242 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.466 ' HD2' ' HG3' ' A' ' 91' ' ' GLN . 16.9 Cg_exo -68.64 149.15 73.48 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.529 2.153 . . . . 0.0 110.581 168.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.41 -28.74 65.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.152 0.501 . . . . 0.0 111.547 -176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 p -69.59 -30.04 67.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.902 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.466 ' HG3' ' HD2' ' A' ' 88' ' ' PRO . 78.3 mm-40 -70.69 -31.72 68.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.412 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.647 HG12 HD22 ' A' ' 83' ' ' LEU . 51.6 mt -53.55 -40.29 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.623 -175.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -56.79 -48.87 76.94 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 111.206 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -73.03 -35.84 66.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.97 -173.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.3 mt -58.18 -45.42 87.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.967 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.55 -43.66 77.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.26 -41.01 97.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.394 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.02 -41.79 73.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.352 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.484 ' HB2' HD23 ' A' ' 50' ' ' LEU . 8.4 t -68.87 -28.3 66.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.15 0.5 . . . . 0.0 109.924 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.457 ' O ' HG23 ' A' ' 104' ' ' VAL . 58.9 t80 -72.08 -36.76 69.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.272 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -54.07 50.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.193 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.466 ' OE1' ' HA ' ' A' ' 53' ' ' SER . 10.0 pt20 -60.11 -32.88 71.4 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -65.16 -42.5 93.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.968 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 100' ' ' TYR . 57.3 t -63.12 -36.27 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -68.92 -16.43 63.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.781 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 97.1 mt -97.83 -7.46 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 92.3 mt -84.3 148.33 52.54 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.066 -176.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 111' ' ' LYS . 25.7 Cg_endo -62.14 163.29 20.3 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.065 2.51 . . . . 0.0 112.772 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.4 tp10 -57.53 -46.79 83.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.525 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -58.54 -44.5 89.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.385 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 0.5 OUTLIER -74.07 -34.84 64.17 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.354 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 112' ' ' ARG . 45.6 mtp180 -59.52 -33.99 72.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.631 0.253 . . . . 0.0 110.96 178.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 74.8 mmtt -63.81 -38.54 91.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.152 0.501 . . . . 0.0 110.642 177.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 70.3 mt -70.74 -39.94 73.04 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.502 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 65.6 mt -60.29 -34.39 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.84 -37.97 70.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.923 0.392 . . . . 0.0 110.401 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -46.18 84.39 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.387 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.9 mt . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.183 -174.828 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.689 0.281 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 p -98.42 168.31 10.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.802 0.334 . . . . 0.0 111.179 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 63.6 mt -61.62 -42.14 93.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.47 -177.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 p -62.96 -39.56 95.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.564 -176.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.57 -40.64 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.05 0.452 . . . . 0.0 110.358 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.773 HD11 HG21 ' A' ' 96' ' ' VAL . 31.8 tp -65.13 -44.49 88.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.204 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 87.8 mt -62.05 -38.04 87.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.968 178.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -62.36 -43.1 99.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.903 0.382 . . . . 0.0 110.384 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -65.44 -34.09 77.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.845 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.16 -26.08 61.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.435 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 1.4 mmt -76.66 -12.71 60.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 110.708 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.65 7.33 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.27 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 75.2 mmtt -109.81 107.11 58.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.655 177.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 15.4 Cg_endo -57.78 132.47 50.18 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.692 2.261 . . . . 0.0 112.208 -178.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.01 -27.37 19.74 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.025 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.61 131.61 37.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.91 0.386 . . . . 0.0 110.663 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -122.29 150.91 41.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.77 122.08 32.52 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.674 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 m -121.91 104.56 9.63 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.4 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -98.87 120.77 48.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.319 0.58 . . . . 0.0 110.466 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.408 ' C ' ' H ' ' A' ' 23' ' ' ASP . 47.3 m-70 -116.05 137.11 52.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.773 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -71.96 16.21 0.13 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 21' ' ' HIS . 19.2 t70 -61.76 -58.4 8.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.383 0.611 . . . . 0.0 109.731 172.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -121.85 2.79 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.877 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt 60.97 23.88 14.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.396 -169.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -86.85 157.16 19.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.72 -177.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 m -91.82 117.37 29.71 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.604 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -100.39 121.05 40.89 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.9 mt -103.6 115.39 45.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.3 -175.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -129.45 158.39 39.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.324 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.725 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -88.39 -134.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.482 ' HG3' ' HG2' ' A' ' 111' ' ' LYS . 5.8 mm-40 -55.6 -67.15 0.31 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.107 0.48 . . . . 0.0 110.458 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -134.56 5.49 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.722 0.772 . . . . 0.0 109.878 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 47.1 t -97.47 107.92 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.871 -176.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt -95.89 105.91 17.99 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 173.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -94.04 -34.87 12.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.595 -176.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.68 139.44 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.82 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -136.86 133.73 36.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.919 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.539 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 13.2 m -85.0 98.17 6.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.458 0.647 . . . . 0.0 111.074 -177.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -93.33 104.92 17.05 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.553 ' OE2' ' HA ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -88.44 136.87 32.78 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.326 -172.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.504 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.6 p -134.19 121.53 38.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.498 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HG3' HG22 ' A' ' 42' ' ' VAL . 43.0 mt-10 63.28 29.54 15.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.12 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.553 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 61.7 t30 66.86 22.64 10.16 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.757 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.52 ' HD2' ' HB2' ' A' ' 84' ' ' ASP . 23.9 mmt180 -99.58 127.67 33.52 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.371 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.35 109.92 0.81 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.7 2.267 . . . . 0.0 112.155 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.06 125.22 20.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.23 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.527 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 6.4 p -116.48 128.9 73.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.971 0.415 . . . . 0.0 110.627 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 20.3 m -96.85 113.96 25.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.635 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.74 153.34 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.882 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 51' ' ' LYS . 1.8 ttpm? -93.4 27.63 2.51 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 175.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 m 73.07 126.88 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.951 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.557 ' H ' ' HB3' ' A' ' 56' ' ' LEU . 49.3 m -120.64 162.5 34.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.194 177.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.43 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . 60.6 Cg_exo -52.04 -64.13 0.21 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 122.555 2.17 . . . . 0.0 113.068 -177.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' OE1' ' HB2' ' A' ' 54' ' ' PRO . 3.4 mp0 -62.83 -29.91 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.205 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.557 ' HB3' ' H ' ' A' ' 53' ' ' SER . 3.4 tm? -63.25 -43.7 97.28 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.53 81.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.477 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.7 -51.8 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.642 0.734 . . . . 0.0 109.302 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' A' ' 64' ' ' HIS . 48.8 tp -59.05 -38.2 78.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.231 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.1 tp -66.52 -39.91 88.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.454 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -68.03 -49.25 62.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.31 -16.48 39.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.353 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 55.29 55.7 7.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.615 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.522 ' HB2' HD12 ' A' ' 59' ' ' LEU . 24.6 m80 -78.37 -12.04 59.98 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.415 0.626 . . . . 0.0 109.932 175.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.9 m -148.16 136.67 21.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.344 173.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.07 114.09 19.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.169 0.509 . . . . 0.0 111.392 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 81' ' ' VAL . 11.2 p -102.33 -22.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.094 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 57.16 95.84 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.256 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.198 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.5 74.53 2.65 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.545 2.163 . . . . 0.0 111.878 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.9 t -145.97 112.74 6.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.748 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.48 ' H ' ' HB3' ' A' ' 75' ' ' LYS . 4.9 tpt180 -153.8 136.31 15.08 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -66.65 -22.06 66.1 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.403 0.44 . . . . 0.0 111.232 -175.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.7 mt -66.99 -77.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.365 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -163.26 95.17 0.84 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.48 ' HB3' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -67.53 -22.42 65.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.027 -176.028 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.36 4.91 41.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -174.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -145.67 -40.69 0.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.344 . . . . 0.0 111.009 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -100.25 135.02 42.32 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 m -124.95 126.45 45.5 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.057 0.456 . . . . 0.0 109.805 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 50.5 m -105.14 122.49 46.02 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.176 -177.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.533 ' HA ' HG23 ' A' ' 67' ' ' VAL . 48.0 t -85.67 111.39 20.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.867 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -88.47 98.17 11.48 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.69 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.98 36.95 2.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.076 0.465 . . . . 0.0 110.751 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.52 ' HB2' ' HD2' ' A' ' 45' ' ' ARG . 4.8 p-10 -78.18 -27.36 47.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.083 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -151.4 27.08 0.97 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.998 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.6 t -165.84 -167.92 1.19 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.428 ' HG ' ' CG1' ' A' ' 81' ' ' VAL . 3.7 mm? 62.94 98.02 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.282 0 O-C-N 123.773 0.671 . . . . 0.0 111.648 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.0 153.18 65.86 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.705 2.27 . . . . 0.0 112.004 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.55 -46.55 86.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.527 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.3 m -63.32 -31.1 72.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.112 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.492 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 6.5 tp60 -68.79 -44.83 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.45 -43.51 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.056 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -50.32 -43.9 53.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.213 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -68.26 -43.45 77.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.322 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 97.1 mt -72.16 -39.52 68.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -174.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.773 HG21 HD11 ' A' ' 6' ' ' LEU . 92.3 t -63.53 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.327 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -32.12 72.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.74 70.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.349 0.595 . . . . 0.0 110.342 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 18.1 m -73.94 -34.49 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.344 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.422 ' O ' HG23 ' A' ' 104' ' ' VAL . 66.4 t80 -73.34 -35.84 66.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.119 174.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -53.49 -52.44 59.55 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.138 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.446 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 8.7 pt20 -60.69 -33.73 73.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -65.18 -40.28 94.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.65 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 100' ' ' TYR . 52.2 t -64.76 -31.09 52.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.243 0.544 . . . . 0.0 110.702 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -76.86 -24.43 52.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 97.7 mt -86.39 -13.24 46.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.725 HD11 HG11 ' A' ' 31' ' ' VAL . 93.2 mt -82.93 136.14 44.56 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.649 178.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.595 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 23.8 Cg_exo -64.81 170.94 9.3 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.845 2.364 . . . . 0.0 112.267 177.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 6.3 tp10 -55.38 -45.76 76.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.986 -177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -48.09 -49.96 29.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.625 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.595 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 4.3 mptp? -68.67 -47.08 67.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.556 -177.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 116' ' ' VAL . 35.8 mtp85 -59.26 -39.43 82.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.879 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.808 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 9.8 mmpt? -60.61 -34.59 74.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 111.271 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.43 -43.51 66.6 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.77 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 81.3 mt -62.94 -27.81 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.827 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 112' ' ' ARG . 87.1 t -59.66 -38.25 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 111.285 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -75.41 -28.15 59.3 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.606 -0.711 . . . . 0.0 111.316 -174.563 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.692 0.282 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.0 162.97 16.93 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mm -57.77 -36.9 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.302 . . . . 0.0 110.99 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 m -60.07 -53.87 52.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.688 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.38 -41.09 96.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.738 0.304 . . . . 0.0 110.701 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.63 -49.85 75.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.041 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.36 -47.37 86.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.218 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.64 -41.6 95.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.051 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -64.28 -42.13 96.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.028 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.8 m -61.67 -46.81 88.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.208 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.8 ttt -71.12 -19.27 62.47 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.061 0.458 . . . . 0.0 110.824 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.67 -12.59 59.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 11.2 mmmm -88.87 121.72 69.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_exo -52.53 130.17 35.26 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.207 2.605 . . . . 0.0 113.272 -174.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 104.82 -10.97 49.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.945 175.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.21 104.64 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.955 0.407 . . . . 0.0 111.764 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.63 124.89 50.28 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 173.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -91.95 120.69 32.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.055 0.455 . . . . 0.0 111.878 -173.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 m -116.88 117.29 29.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.502 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -93.7 121.49 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.676 0.751 . . . . 0.0 112.229 -175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 49.3 t-80 -85.91 122.9 30.62 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 170.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' CG ' ' H ' ' A' ' 23' ' ' ASP . 53.3 t30 -74.33 -152.7 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.461 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 22.6 t70 74.58 -68.88 0.2 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.255 0.622 . . . . 0.0 111.044 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 0.3 OUTLIER -113.53 2.13 15.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.217 177.457 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 64.5 87.97 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.641 0.734 . . . . 0.0 110.758 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.753 ' HB1' ' HG2' ' A' ' 40' ' ' LYS . . . -124.47 107.36 11.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.404 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 38' ' ' MET . 19.4 m -83.28 116.31 22.37 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' HB3' HD13 ' A' ' 35' ' ' LEU . 77.6 mt-30 -91.48 120.39 32.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.095 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.5 mt -91.17 107.83 19.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HD2' ' HA ' ' A' ' 33' ' ' ASP . 23.8 ttpt -140.29 145.4 37.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.039 -168.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG22 ' HB ' ' A' ' 34' ' ' VAL . 16.1 m -79.89 -137.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 171.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -52.02 -59.8 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 110.326 174.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.542 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 16.9 t70 -159.74 73.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.152 0.501 . . . . 0.0 110.21 170.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.525 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 95.0 t -148.4 116.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.053 176.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 38' ' ' MET . 38.1 tp -97.83 108.99 21.83 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -106.89 -22.58 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.512 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 49' ' ' SER . . . -163.79 145.08 8.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.235 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.573 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -157.74 138.43 13.04 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.01 0.433 . . . . 0.0 111.448 178.329 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -90.2 135.26 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.813 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.753 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 22.0 mtmm -139.8 148.12 41.73 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -176.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 18.3 tt0 -99.08 110.22 22.84 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.436 HG22 ' HG3' ' A' ' 43' ' ' GLU . 3.8 p -142.97 142.48 26.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 42' ' ' VAL . 54.2 mt-10 62.07 26.23 15.78 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -172.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 67.0 t30 55.08 36.34 26.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.929 -174.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 7.5 ttt85 -137.85 135.67 19.1 Favored Pre-proline 0 N--CA 1.449 -0.514 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.086 -175.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 16.8 Cg_exo -67.25 111.35 2.24 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.573 2.182 . . . . 0.0 111.376 177.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . . . -125.42 132.81 52.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.21 0.529 . . . . 0.0 112.011 -176.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.45 134.39 58.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 23.6 m -118.73 136.93 53.69 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.877 -176.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.31 143.89 32.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.37 140.97 56.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 169.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.3 m -41.5 104.93 0.04 OUTLIER 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.821 0.701 . . . . 0.0 112.498 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.588 ' HB3' HD23 ' A' ' 56' ' ' LEU . 33.0 t -108.54 145.41 31.54 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.182 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -51.61 -58.83 1.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.921 2.414 . . . . 0.0 112.436 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.0 -30.37 70.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.318 -175.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' ' 53' ' ' SER . 4.4 mm? -67.93 -43.28 79.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 110.478 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -71.01 -33.5 70.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 0.0 110.548 177.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -43.81 95.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.651 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.02 -40.49 93.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.673 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 57' ' ' ALA . 84.4 mt -60.87 -30.5 70.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.925 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.458 ' HA ' ' HD3' ' A' ' 61' ' ' ARG . 18.2 mmt180 -76.25 -30.92 58.05 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -176.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.03 -48.75 6.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.723 0.297 . . . . 0.0 111.356 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -92.91 155.89 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.454 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -161.94 3.73 0.05 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 p -122.24 15.74 10.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.075 0.464 . . . . 0.0 111.108 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.12 -61.39 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.346 -177.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.9 p -65.15 135.42 28.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.357 0.599 . . . . 0.0 110.464 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.507 ' HG2' ' CE1' ' A' ' 82' ' ' TYR . 10.7 tpt180 -103.32 117.99 58.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.939 -175.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -82.6 42.58 1.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.712 2.275 . . . . 0.0 111.655 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' A' ' 73' ' ' LEU . 10.1 t 56.38 -156.31 0.28 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.234 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 71' ' ' ARG . 13.3 ttm180 -142.32 -83.72 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -96.61 -15.71 21.39 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.426 ' HB2' ' OG ' ' A' ' 70' ' ' SER . 86.1 mt -61.67 -77.67 0.04 OUTLIER 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.657 0.265 . . . . 0.0 110.788 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -164.31 143.41 7.44 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -87.12 -40.39 14.69 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.38 -28.3 5.03 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -170.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -73.71 -19.18 60.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.917 0.389 . . . . 0.0 110.247 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -137.81 161.04 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.068 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 49' ' ' SER . 11.9 m -125.66 125.71 43.52 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 170.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.1 m -116.44 116.84 28.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.027 0.441 . . . . 0.0 112.126 -168.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.5 t -104.42 119.45 53.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.901 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 86.9 m-85 -88.19 135.59 33.37 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.0 mt -79.69 76.46 6.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.111 0.481 . . . . 0.0 110.706 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.38 -89.52 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.857 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.6 38.15 0.62 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.96 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.3 t -145.8 -168.77 3.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 3.9 mm? 57.55 91.58 0.07 OUTLIER Pre-proline 0 CA--C 1.527 0.085 0 O-C-N 123.829 0.706 . . . . 0.0 110.998 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.458 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 19.1 Cg_endo -58.74 158.48 24.06 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.643 2.228 . . . . 0.0 112.622 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.477 ' HA ' HD12 ' A' ' 92' ' ' ILE . 2.2 m-20 -52.17 -33.88 42.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.371 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 p -58.31 -46.67 85.73 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.378 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.488 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.4 mm-40 -66.98 -34.11 77.04 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.934 0.397 . . . . 0.0 110.5 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 89' ' ' ASP . 68.4 mt -62.67 -38.35 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.704 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -58.24 -46.08 86.6 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -58.86 -49.82 76.31 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.679 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 96.3 mt -53.3 -48.25 68.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.678 -176.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -74.07 -43.11 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -74.44 -37.42 63.28 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.086 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.95 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.623 0.249 . . . . 0.0 111.265 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.0 p -66.85 -35.41 79.98 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 104' ' ' VAL . 51.6 t80 -61.54 -47.05 87.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.423 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -34.7 73.13 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.113 176.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.474 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 46.9 mt-30 -58.02 -37.33 74.12 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.156 0.285 . . . . 0.0 110.74 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.497 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -75.96 -44.91 37.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.745 0.307 . . . . 0.0 110.747 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 100' ' ' TYR . 95.7 t -55.85 -44.55 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.338 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.12 -16.35 59.21 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.248 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 71.1 mt -86.42 -18.43 31.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.674 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.654 ' HB3' ' HB3' ' A' ' 111' ' ' LYS . 91.7 mt -76.74 140.67 67.76 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.61 ' HD2' ' HB2' ' A' ' 111' ' ' LYS . 8.2 Cg_exo -72.96 175.89 9.81 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.005 2.47 . . . . 0.0 112.469 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -51.74 -52.97 44.59 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.857 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.93 -45.98 78.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.237 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -64.7 -38.97 92.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.274 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 116' ' ' VAL . 69.1 mtp180 -70.82 -27.06 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.37 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 36.0 mmtm -62.47 -37.75 87.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.846 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 87.3 mt -61.49 -41.18 96.89 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.755 177.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 107' ' ' LEU . 75.0 mt -65.51 -27.22 68.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.225 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 112' ' ' ARG . 64.0 t -79.69 -36.46 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.601 178.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -72.3 -40.5 67.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.233 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 96.8 mt . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.626 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.8 p -82.32 145.44 29.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.053 0.454 . . . . 0.0 111.897 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.403 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 42.4 mm -65.47 -28.3 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.299 -177.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 t -57.44 -40.75 79.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.025 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -67.06 -40.01 87.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.476 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.88 -47.32 81.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.062 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 92.2 mt -60.26 -43.83 95.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.315 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -66.53 -34.51 78.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.861 0.363 . . . . 0.0 110.556 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.76 -32.52 74.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.3 m -72.64 -40.18 66.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.387 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.42 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 2.3 mmt -67.28 -20.07 65.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.34 -7.1 56.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.021 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -93.98 114.39 63.04 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.693 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.2 105.87 0.75 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.725 2.283 . . . . 0.0 112.846 -176.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.4 -21.42 5.72 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.402 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.73 130.08 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.17 0.509 . . . . 0.0 111.595 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.1 124.67 46.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.397 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -105.99 120.61 42.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.967 0.413 . . . . 0.0 110.764 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -121.79 117.17 25.9 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.581 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 5.1 p -81.96 132.15 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.476 . . . . 0.0 110.349 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 117.46 29.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.747 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -60.95 -29.87 69.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.217 0.323 . . . . 0.0 111.559 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -80.41 -4.13 52.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.786 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -130.82 -17.33 3.19 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 60.66 29.09 18.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.464 0.65 . . . . 0.0 110.195 -174.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' A' ' 40' ' ' LYS . . . -122.74 151.6 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.777 -175.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 26.0 m -98.48 118.27 34.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.206 0.527 . . . . 0.0 111.654 -174.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 27.0 mt-30 -100.08 128.7 46.12 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.9 mt -104.2 116.59 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.994 -171.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 33' ' ' ASP . 7.3 ptpt -120.83 169.67 10.21 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.224 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.795 HG11 HD11 ' A' ' 107' ' ' LEU . 2.3 t -89.75 -133.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 168.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.81 88.26 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.064 0.459 . . . . 0.0 109.994 172.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 32.5 t70 -154.62 -14.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.91 172.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.29 118.06 16.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.877 0.37 . . . . 0.0 110.989 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.9 tp -91.4 112.38 24.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.948 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -100.56 -45.34 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.413 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.34 162.89 39.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.675 0.274 . . . . 0.0 110.598 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.456 ' SD ' ' HD2' ' A' ' 40' ' ' LYS . 21.3 ptt? -156.73 130.89 8.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.714 0.292 . . . . 0.0 111.158 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 5.5 p -90.41 116.86 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.733 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 40.0 mtpt -138.96 111.23 7.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.824 0.345 . . . . 0.0 110.642 -173.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -75.75 112.7 12.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.21 0.529 . . . . 0.0 110.541 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.69 132.01 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 68.51 23.27 7.43 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.268 0.556 . . . . 0.0 109.627 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 t30 61.46 29.18 18.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.977 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -114.11 114.0 46.23 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.778 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.627 ' HD2' ' HB2' ' A' ' 84' ' ' ASP . 50.1 Cg_exo -54.02 122.58 11.66 Favored 'Trans proline' 0 C--O 1.239 0.532 0 C-N-CA 123.27 2.647 . . . . 0.0 112.787 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -163.33 141.46 7.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.174 0.511 . . . . 0.0 111.701 -176.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 7.7 p -115.03 135.2 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.285 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 m -102.83 116.13 31.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.978 0.418 . . . . 0.0 111.253 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 50' ' ' LEU . 5.9 mp -103.37 165.44 11.03 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 174.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.09 -171.57 3.03 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 171.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.7 m -61.29 98.0 0.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.374 0.607 . . . . 0.0 111.484 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.5 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . 22.6 t -110.24 140.79 22.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.382 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.42 -65.75 0.14 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 123.456 2.77 . . . . 0.0 113.665 -173.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.27 -30.5 70.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.571 0.224 . . . . 0.0 111.597 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 4.2 mm? -67.52 -50.53 58.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 0.0 110.497 177.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.26 -43.23 87.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.01 -39.93 72.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.55 -52.25 64.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.801 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.7 -29.16 62.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.64 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -65.26 -43.48 91.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.809 0.337 . . . . 0.0 110.733 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -85.67 -49.33 8.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.787 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -106.15 89.6 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.176 0.512 . . . . 0.0 110.724 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -87.57 77.19 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.077 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -145.6 156.39 43.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.927 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.0 t70 74.43 -55.63 0.65 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.079 0.952 . . . . 0.0 112.901 171.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 5.7 p -58.21 -48.39 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 67' ' ' VAL . 10.3 ptt180 67.07 152.0 0.12 Allowed Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 123.875 0.87 . . . . 0.0 111.254 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.15 111.46 1.1 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.418 2.078 . . . . 0.0 112.044 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.492 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 12.9 m -86.02 99.24 11.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.453 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -77.45 82.28 3.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.072 0.463 . . . . 0.0 111.307 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.672 ' HE1' HG21 ' A' ' 80' ' ' THR . 21.1 m80 -96.51 -49.38 5.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.213 0.53 . . . . 0.0 109.657 170.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD12 ' HB3' ' A' ' 72' ' ' HIS . 5.2 mp -143.48 -62.7 0.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.582 175.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.675 HD21 ' HB2' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -108.78 156.32 19.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.332 176.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -82.92 -32.09 27.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.101 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.94 94.7 2.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.113 0.482 . . . . 0.0 111.952 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.446 ' HB3' ' OD1' ' A' ' 74' ' ' ASN . 11.4 t-80 -177.67 -56.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 172.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.675 ' HB2' HD21 ' A' ' 74' ' ' ASN . 55.3 m95 -80.06 150.66 30.25 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 161.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -125.95 126.2 43.96 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.672 HG21 ' HE1' ' A' ' 72' ' ' HIS . 54.0 m -109.93 124.34 51.21 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.233 0.54 . . . . 0.0 111.404 -174.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.42 108.52 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.448 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -64.67 102.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.734 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.73 -22.55 66.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.322 0.582 . . . . 0.0 109.84 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.627 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 12.5 t70 -58.72 -27.64 65.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.36 174.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.44 -12.02 60.54 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.448 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.7 m 67.56 86.91 0.13 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.281 0.563 . . . . 0.0 111.208 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.58 152.15 38.35 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.685 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.57 144.56 41.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.677 2.251 . . . . 0.0 112.165 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -60.39 -33.18 72.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.274 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.0 m -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.518 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.494 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 15.3 mm-40 -66.48 -34.7 78.52 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.888 0.375 . . . . 0.0 110.941 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.87 -39.46 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -57.14 -42.97 81.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.204 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -67.61 -51.21 52.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.979 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 91.6 mt -53.56 -47.31 70.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.953 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.7 t -72.62 -47.8 49.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.392 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -68.12 -44.25 76.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.485 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.39 90.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.934 0.397 . . . . 0.0 111.305 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.9 m -69.14 -39.0 79.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.447 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.511 ' O ' HG23 ' A' ' 104' ' ' VAL . 41.8 t80 -71.6 -38.5 70.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -42.9 79.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.195 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.496 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 54.7 mt-30 -59.0 -42.07 89.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.8 79.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.124 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 100' ' ' TYR . 94.6 t -61.81 -39.49 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.3 -16.87 61.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.901 0.381 . . . . 0.0 111.058 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 91.8 mt -84.19 -11.41 56.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 0.0 110.601 177.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.795 HD11 HG11 ' A' ' 31' ' ' VAL . 98.1 mt -93.78 145.81 30.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.766 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 16.4 Cg_exo -68.28 155.61 68.7 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 123.004 2.47 . . . . 0.0 112.328 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 6.2 tp10 -49.1 -55.37 12.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.643 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -49.27 -50.21 39.93 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.902 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.21 -41.82 99.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.453 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 116' ' ' VAL . 21.8 mtm180 -64.87 -37.71 88.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 43.5 mtpt -65.14 -30.61 71.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.837 0.351 . . . . 0.0 110.778 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.03 -41.01 91.49 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.258 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.46 -30.57 71.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.886 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 112' ' ' ARG . 60.0 t -62.82 -29.28 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.227 0.537 . . . . 0.0 111.065 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -73.96 -25.76 60.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.711 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.877 -178.719 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HE2' ' HA ' ' A' ' 89' ' ' ASP . 50.2 ttp . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -116.49 171.18 8.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.918 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 39' ' ' VAL . 18.2 tt -70.44 -21.63 23.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.136 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -58.23 -35.52 71.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 0.0 110.666 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -73.32 -30.57 63.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.522 ' HG ' HG22 ' A' ' 92' ' ' ILE . 2.9 mm? -73.7 -30.92 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.598 176.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -43.81 78.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.102 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -63.05 -33.27 75.08 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -73.12 -32.74 65.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.986 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.4 m -60.37 -33.11 71.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.009 0.433 . . . . 0.0 110.759 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.4 mmt -76.53 -7.8 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.77 -12.11 49.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.971 0.415 . . . . 0.0 110.33 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -86.29 118.33 70.17 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.804 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.31 137.43 40.03 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.521 2.147 . . . . 0.0 112.186 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.28 -21.39 38.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.757 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.91 115.22 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.698 0.285 . . . . 0.0 110.785 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -119.79 165.32 14.72 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.283 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.567 ' HG2' HG12 ' A' ' 29' ' ' ILE . 20.0 mt-30 -107.99 142.25 38.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.8 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -131.54 127.45 37.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.753 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.1 p -104.51 140.63 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.864 0.364 . . . . 0.0 110.449 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -119.36 136.23 54.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -77.14 95.96 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.164 -173.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -168.87 -69.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.53 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -92.53 -8.83 43.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.839 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.6 tttt 62.93 25.4 15.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 122.045 0.926 . . . . 0.0 108.951 -170.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.71 136.97 56.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.094 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.8 m -98.0 117.13 31.65 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -108.77 115.74 30.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.472 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.567 HG12 ' HG2' ' A' ' 18' ' ' GLN . 31.7 mt -95.48 119.36 43.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.808 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -142.28 169.1 18.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.046 0.451 . . . . 0.0 110.987 -175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.51 -133.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -52.39 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.909 0.385 . . . . 0.0 110.217 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -142.2 14.0 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.289 0.566 . . . . 0.0 109.591 170.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.0 t -88.72 104.05 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.39 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.61 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 55.5 tp -84.64 127.54 34.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.082 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -118.06 -26.27 6.44 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.563 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.4 145.71 19.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.904 0.383 . . . . 0.0 111.162 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -149.31 137.44 20.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.255 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 HD13 ' A' ' 3' ' ' ILE . 8.3 p -111.74 140.2 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.086 0.469 . . . . 0.0 111.434 -174.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HE2' ' HB2' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -141.8 134.28 28.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.452 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.56 111.04 19.16 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.474 170.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG22 ' HG2' ' A' ' 43' ' ' GLU . 7.7 p -126.26 133.47 68.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.534 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.557 ' HG2' HG22 ' A' ' 42' ' ' VAL . 30.6 mm-40 62.44 19.91 11.5 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.401 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 68.08 29.27 6.37 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.816 -175.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -119.04 130.72 24.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.526 172.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.4 107.76 1.66 Allowed 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.331 2.02 . . . . 0.0 111.047 174.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 80' ' ' THR . . . -122.59 126.6 48.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.129 0.49 . . . . 0.0 111.466 -174.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -115.08 138.45 45.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 79' ' ' SER . 2.7 p -110.71 122.65 48.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.886 0.374 . . . . 0.0 111.224 -178.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.11 160.33 14.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.947 176.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.61 ' HE3' ' O ' ' A' ' 35' ' ' LEU . 94.9 mttt -70.08 -61.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 170.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.9 t -174.74 156.21 2.27 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.15 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.662 ' HB2' HD23 ' A' ' 56' ' ' LEU . 44.8 m -155.08 146.46 16.78 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 176.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.53 -48.16 22.65 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.759 2.306 . . . . 0.0 112.739 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.8 mt-10 -75.25 -29.87 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.385 -178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -64.96 -46.59 80.9 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.683 0.278 . . . . 0.0 110.535 176.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.44 70.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.069 0.461 . . . . 0.0 110.555 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.27 -51.67 65.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.867 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 92.8 mt -54.97 -40.19 69.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.511 178.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.9 mt -61.47 -30.25 70.48 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 111.406 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -77.1 -32.88 56.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -91.8 -76.56 0.45 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -69.8 144.07 52.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -155.75 20.02 0.39 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.834 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 p -101.58 -51.63 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.942 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.67 -61.87 1.55 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.325 177.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.0 128.51 39.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.998 0.428 . . . . 0.0 110.71 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -160.54 143.95 10.06 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.707 176.01 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 16.3 Cg_exo -68.26 116.88 4.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.758 2.305 . . . . 0.0 112.021 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.5 t -155.84 -159.87 0.96 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.691 ' HA ' ' HE ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER 75.44 156.3 0.18 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.057 0.943 . . . . 0.0 110.634 -179.424 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 11.0 t-80 -68.63 -16.14 63.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.727 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.43 -179.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 110.992 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -74.22 92.85 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -69.81 -24.08 63.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.28 19.56 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.403 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -147.44 -32.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.108 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -120.15 149.45 42.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' SER . 15.5 m -125.83 126.17 44.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.982 0.42 . . . . 0.0 109.954 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.404 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 96.2 m -110.39 118.28 35.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.3 -178.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 t -105.08 129.13 58.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.505 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.485 ' HE1' HG13 ' A' ' 42' ' ' VAL . 98.8 m-85 -86.0 111.27 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.91 176.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.526 HD22 HG12 ' A' ' 92' ' ' ILE . 92.7 mt -96.76 48.82 1.07 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.018 0.437 . . . . 0.0 111.025 -175.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -100.22 68.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 0.0 110.673 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.72 -8.39 28.59 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.525 -0.761 . . . . 0.0 113.529 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 p -77.34 -46.49 22.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 87' ' ' LEU . 4.0 mm? -89.39 142.14 29.47 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.826 -177.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.466 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 60.2 Cg_endo -73.87 164.64 34.1 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.635 2.223 . . . . 0.0 112.263 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.404 ' HA ' ' HE2' ' A' ' 1' ' ' MET . 5.0 p-10 -52.9 -47.49 67.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.444 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m -62.37 -33.68 75.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.856 -172.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.608 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 15.8 mm100 -70.63 -39.44 73.68 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.835 0.35 . . . . 0.0 110.516 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.526 HG12 HD22 ' A' ' 83' ' ' LEU . 61.9 mt -65.89 -41.21 89.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.763 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -61.16 -43.16 99.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.411 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -58.6 -43.44 89.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.252 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 78.9 mt -55.46 -45.01 76.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.505 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -77.26 -50.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.525 -176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.12 -42.99 83.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.537 -173.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.0 -45.29 82.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.676 0.274 . . . . 0.0 111.544 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.3 m -61.37 -42.02 98.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 104' ' ' VAL . 76.2 t80 -65.92 -46.57 77.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.852 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -54.35 47.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -175.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 4.0 pt20 -63.14 -32.75 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -175.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.94 78.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 100' ' ' TYR . 93.9 t -66.56 -36.77 78.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.855 179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.23 -22.14 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 93.3 mt -87.26 -5.42 58.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.476 -176.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.49 148.96 56.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.065 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.486 ' HG2' ' HG2' ' A' ' 111' ' ' LYS . 41.7 Cg_endo -68.81 173.89 9.45 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 123.0 2.467 . . . . 0.0 113.687 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -49.66 -52.03 33.77 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.754 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -54.32 -52.94 59.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.373 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.486 ' HG2' ' HG2' ' A' ' 108' ' ' PRO . 29.4 mmmt -66.53 -50.67 62.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.007 -176.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.1 OUTLIER -49.91 -41.69 46.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.122 178.153 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -54.26 -51.99 62.8 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.454 0.471 . . . . 0.0 111.31 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.46 -41.07 98.49 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.143 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.411 HD13 HG13 ' A' ' 104' ' ' VAL . 92.1 mt -64.49 -26.19 68.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.537 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 112' ' ' ARG . 94.3 t -77.93 -38.82 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.605 0.24 . . . . 0.0 110.436 177.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.68 -48.59 78.64 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.796 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.769 -0.634 . . . . 0.0 111.171 -173.849 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 121.048 0.451 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.1 158.15 15.59 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.126 -175.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' A' ' 46' ' ' PRO . 40.7 mm -61.87 -35.39 67.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.225 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 m -57.1 -39.48 75.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.061 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -69.88 -43.34 72.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.448 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.33 -39.34 92.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.055 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.78 -51.1 70.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.094 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -63.88 -31.52 72.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.851 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -64.02 -35.69 81.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.262 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.2 m -73.26 -37.23 66.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -9.18 58.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.89 -3.75 58.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.052 0.453 . . . . 0.0 110.436 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 69.3 mmtt -100.13 123.1 48.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.96 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 22.5 Cg_exo -64.89 130.0 24.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.282 . . . . 0.0 112.384 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.88 -16.43 58.5 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.085 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.07 139.53 30.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -144.01 165.41 27.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.311 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -90.08 149.58 22.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.294 0.569 . . . . 0.0 111.874 -174.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.685 ' HB2' ' HB2' ' A' ' 28' ' ' GLN . 37.6 m -145.58 160.32 41.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.676 172.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 12.6 p -150.78 149.26 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.05 0.453 . . . . 0.0 111.408 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -135.73 143.69 45.48 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.83 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -81.95 116.51 21.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.218 0.532 . . . . 0.0 112.071 -174.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 179.63 -65.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.363 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -128.51 20.26 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.17 176.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.8 tttt 52.29 74.45 0.27 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.752 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' A' ' 20' ' ' VAL . . . -95.49 107.17 19.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.538 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -80.93 116.05 20.71 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.685 ' HB2' ' HB2' ' A' ' 19' ' ' SER . 46.4 mt-30 -106.54 137.86 43.77 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 -171.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.8 mt -112.42 109.73 29.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.396 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -139.01 164.82 28.74 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.899 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -92.9 -132.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -41.1 -69.26 0.14 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.215 0.531 . . . . 0.0 110.485 173.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -148.35 11.76 0.91 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.631 0.729 . . . . 0.0 109.519 171.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.8 t -82.7 100.79 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.166 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.4 tp -88.4 124.69 34.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.669 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 16.8 p90 -115.4 -30.07 6.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.626 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.27 150.03 19.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.976 0.417 . . . . 0.0 111.267 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.16 144.47 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 175.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 11.2 p -108.15 135.9 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.311 0.577 . . . . 0.0 111.119 -176.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HE3' ' HB2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -128.57 160.24 33.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.456 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.58 111.56 17.82 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.496 HG22 ' HG2' ' A' ' 43' ' ' GLU . 11.9 p -144.0 143.82 23.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.015 -175.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HG2' HG22 ' A' ' 42' ' ' VAL . 41.4 mm-40 62.57 24.32 14.47 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.813 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 69.2 22.92 6.55 Favored 'General case' 0 CA--C 1.519 -0.214 0 O-C-N 123.979 0.799 . . . . 0.0 110.429 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 48.6 mtt85 -135.44 131.67 19.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 12.7 Cg_exo -70.48 126.83 13.25 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.649 2.233 . . . . 0.0 111.316 175.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.21 139.87 46.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.704 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.37 142.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.542 ' HA ' ' O ' ' A' ' 79' ' ' SER . 50.1 m -111.68 124.75 52.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.152 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.01 160.38 17.53 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -91.16 136.28 33.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.42 98.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.462 0.648 . . . . 0.0 112.565 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.7 ' HB2' HD23 ' A' ' 56' ' ' LEU . 6.4 m -92.54 166.35 17.15 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.087 176.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 53' ' ' SER . 91.0 Cg_exo -42.83 -55.31 2.8 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.125 2.55 . . . . 0.0 113.563 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -77.6 -40.43 42.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.654 0.264 . . . . 0.0 111.174 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.7 HD23 ' HB2' ' A' ' 53' ' ' SER . 3.8 mm? -62.99 -33.78 76.14 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.515 -177.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.12 -27.07 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 111.019 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -72.31 -39.38 68.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.052 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mp -54.55 -43.9 72.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.355 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.592 ' HA ' HG11 ' A' ' 67' ' ' VAL . 10.4 tt -69.03 -38.21 79.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.247 0.546 . . . . 0.0 110.223 177.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -61.81 -44.24 97.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.946 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -88.07 -50.18 6.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.894 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -98.29 104.93 17.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -175.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -89.55 0.49 56.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.647 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.5 m -97.19 -38.25 9.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -175.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.95 -26.3 34.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -171.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.592 HG11 ' HA ' ' A' ' 60' ' ' LEU . 12.0 p -118.18 145.43 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.302 0.572 . . . . 0.0 112.212 -171.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 36.7 mmt180 -120.24 141.05 31.04 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.927 173.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 13.6 Cg_exo -70.7 -2.66 11.2 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.477 2.785 . . . . 0.0 113.827 -174.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.1 m 64.57 71.79 0.46 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.086 0.47 . . . . 0.0 111.489 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -76.38 13.97 0.85 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.264 -175.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -95.19 -16.85 22.23 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mp -122.67 -55.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.095 0.474 . . . . 0.0 110.7 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.518 HD22 ' C ' ' A' ' 74' ' ' ASN . 0.3 OUTLIER -128.84 -174.45 3.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.002 -175.167 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -82.72 -56.18 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 170.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.62 93.84 1.03 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.106 0.479 . . . . 0.0 111.501 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.464 ' HB2' ' OD1' ' A' ' 74' ' ' ASN . 66.1 m80 -139.31 -58.81 0.59 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -82.2 144.57 30.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 170.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 49' ' ' SER . 12.9 m -125.0 128.86 49.21 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.844 0.354 . . . . 0.0 110.555 -175.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.8 m -108.57 119.47 39.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.621 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.9 m -110.98 140.35 30.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.976 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -85.06 128.93 34.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.901 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.32 9.97 9.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -129.59 93.6 3.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.66 -43.91 1.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.674 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 m -95.83 129.36 43.09 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.462 HD22 ' HG2' ' A' ' 91' ' ' GLN . 72.4 mt 65.06 126.91 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.396 0 CA-C-O 121.495 0.664 . . . . 0.0 111.975 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 23.7 Cg_exo -65.0 161.76 35.46 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.609 2.206 . . . . 0.0 111.5 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -64.79 -20.1 66.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.463 -175.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -70.49 -35.24 73.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.077 0.465 . . . . 0.0 110.378 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.462 ' HG2' HD22 ' A' ' 87' ' ' LEU . 7.0 tp60 -70.35 -30.56 67.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.73 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.6 mt -54.74 -37.77 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.266 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -60.09 -45.45 92.9 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.974 0.416 . . . . 0.0 110.328 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -58.91 -44.41 91.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.964 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.42 -40.45 74.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.389 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.35 -50.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 0.2 OUTLIER -69.18 -41.91 76.54 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -173.657 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.84 92.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.821 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.669 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 19.0 m -64.89 -41.06 95.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.295 177.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.503 ' O ' HG23 ' A' ' 104' ' ' VAL . 59.3 t80 -66.54 -42.68 86.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.173 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 32.7 mm-40 -58.54 -43.85 89.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.576 0.227 . . . . 0.0 111.068 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -62.2 -42.67 99.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 177.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -60.7 -42.11 96.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.474 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 100' ' ' TYR . 99.7 t -60.12 -36.41 67.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -77.08 -16.73 59.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.02 -16.09 26.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.336 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 93.5 mt -75.13 135.78 73.16 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.479 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 17.4 Cg_exo -68.01 168.18 19.64 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.969 2.446 . . . . 0.0 112.709 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.535 ' HG3' ' HE2' ' A' ' 113' ' ' LYS . 7.8 tp10 -48.89 -52.56 23.74 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.917 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -52.6 -42.09 64.24 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.357 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 111' ' ' LYS . 4.5 mptp? -72.4 -44.7 62.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.108 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 112' ' ' ARG . 49.6 mtp180 -59.93 -31.95 70.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.849 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.535 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 59.2 mmtt -60.54 -44.6 95.93 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.149 0.499 . . . . 0.0 110.377 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 83.8 mt -63.35 -39.57 94.9 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.127 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.77 -29.39 66.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.222 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.09 -33.41 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.069 0.462 . . . . 0.0 110.711 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.43 -37.23 68.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.972 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 96.9 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.581 -0.723 . . . . 0.0 111.481 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.577 ' HB2' ' HB3' ' A' ' 89' ' ' ASP . 10.0 tmm? . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.76 175.81 5.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.782 -171.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.4 mm -54.5 -33.39 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.859 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 p -58.36 -45.71 87.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 0.0 111.118 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 28.0 mt-10 -77.46 -42.01 37.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.368 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.46 -48.75 71.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.653 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.678 HD21 HG21 ' A' ' 27' ' ' THR . 0.9 OUTLIER -55.01 -48.03 73.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.572 -177.854 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -66.92 -35.97 81.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.249 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -64.85 -42.3 95.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.689 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.26 -35.25 80.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.071 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.431 ' SD ' ' HB2' ' A' ' 18' ' ' GLN . 29.6 mmt -79.26 -10.7 59.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.124 -177.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.43 -8.87 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.184 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -114.01 118.69 42.09 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.662 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.06 145.05 66.16 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.177 2.585 . . . . 0.0 112.561 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.07 -21.41 29.36 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.795 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.31 122.87 42.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.109 0.481 . . . . 0.0 111.259 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -106.63 142.13 36.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.373 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HB2' ' SD ' ' A' ' 11' ' ' MET . 8.6 tt0 -89.77 135.69 33.48 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.8 p -146.15 122.55 10.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -93.09 128.6 44.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -99.83 97.38 8.3 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.82 101.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.298 0.571 . . . . 0.0 110.144 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 t70 172.1 -65.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 -173.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -88.35 -23.1 23.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.597 169.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? 59.43 71.98 0.55 Allowed 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.864 -171.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -150.09 177.86 9.5 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.703 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.678 HG21 HD21 ' A' ' 7' ' ' LEU . 22.8 m -108.1 128.7 54.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.388 0.613 . . . . 0.0 112.0 -173.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.588 ' HG2' ' HG3' ' A' ' 38' ' ' MET . 7.7 mt-30 -105.79 128.04 53.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.206 172.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.2 mt -99.33 108.8 23.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HB3' HD23 ' A' ' 35' ' ' LEU . 11.9 ptmm? -133.01 161.47 34.27 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.22 -171.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.82 HG11 HD11 ' A' ' 107' ' ' LEU . 2.3 t -87.12 -134.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 168.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.91 -57.02 14.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.945 0.402 . . . . 0.0 110.296 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.42 14.35 1.25 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.849 0.833 . . . . 0.0 109.823 174.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.0 t -97.51 116.39 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.183 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' A' ' 30' ' ' LYS . 33.9 mt -93.01 129.81 38.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.651 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.601 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 55.3 p90 -124.45 -9.15 7.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.943 176.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.3 140.85 11.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 111.041 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.588 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 26.6 ttm -151.0 116.32 5.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.96 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.593 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 8.0 p -107.31 132.98 53.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.803 0.335 . . . . 0.0 110.743 -176.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -127.8 159.23 35.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.228 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -106.25 110.73 23.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.144 0.497 . . . . 0.0 109.733 172.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.554 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.1 p -123.12 132.8 70.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.554 ' HG3' HG22 ' A' ' 42' ' ' VAL . 38.1 mt-10 61.15 24.59 14.68 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -174.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.2 t30 67.38 23.88 9.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.534 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 34.4 ptt180 -129.94 141.17 40.94 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.827 0.346 . . . . 0.0 110.375 174.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HB2' HD12 ' A' ' 83' ' ' LEU . 15.0 Cg_exo -69.12 126.38 13.66 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.258 2.639 . . . . 0.0 113.043 -176.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.45 127.81 38.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.611 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 12.6 p -115.32 142.43 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.933 0.397 . . . . 0.0 110.769 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.609 ' HB3' ' HB3' ' A' ' 78' ' ' TRP . 18.7 m -110.91 123.33 49.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.753 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 56' ' ' LEU . 8.3 mp -113.76 176.56 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.648 176.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -89.83 155.55 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.8 m -62.76 103.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.118 0.485 . . . . 0.0 111.215 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.577 ' HB3' HD23 ' A' ' 56' ' ' LEU . 35.8 t -117.46 147.99 41.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.461 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -46.63 -55.14 4.05 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.304 2.669 . . . . 0.0 113.353 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -72.94 -28.54 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 53' ' ' SER . 3.9 mm? -63.14 -35.52 80.57 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.229 173.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.25 -38.51 65.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.034 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -54.29 -48.43 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.714 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.0 tp -52.69 -51.56 59.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.398 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.99 -29.69 70.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.77 0.319 . . . . 0.0 111.68 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -72.68 -44.24 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.558 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.17 -35.52 18.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.489 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -118.08 96.39 5.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.221 0.534 . . . . 0.0 110.658 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -120.92 72.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.013 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.7 p -101.75 -67.32 0.87 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.152 0.501 . . . . 0.0 110.978 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -121.02 7.47 10.34 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.394 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.6 m -79.68 129.87 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 0.0 110.772 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' O ' ' HB ' ' A' ' 80' ' ' THR . 38.3 ptt180 -160.29 149.31 13.84 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.877 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.11 159.5 30.21 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.338 2.025 . . . . 0.0 112.954 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.6 p -114.79 139.51 49.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.85 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.463 ' HE ' ' HB2' ' A' ' 71' ' ' ARG . 5.5 ttm180 -79.27 -38.15 36.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.836 0.351 . . . . 0.0 111.003 -172.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -65.93 -27.45 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.901 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.25 -23.38 19.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.627 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 68.19 122.85 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.06 0.85 . . . . 0.0 111.434 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -62.47 -25.83 68.2 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.235 -177.323 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.18 -17.55 64.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.461 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -116.45 -49.01 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.568 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 85.4 m95 -123.31 149.83 44.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.307 0.575 . . . . 0.0 112.079 -175.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 49' ' ' SER . 51.4 m -124.82 132.36 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 172.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 68' ' ' ARG . 22.3 m -100.83 120.52 40.24 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.344 0.593 . . . . 0.0 111.917 -170.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.92 120.67 64.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.431 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -86.85 154.39 20.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.037 0.446 . . . . 0.0 110.746 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.496 HD23 HD12 ' A' ' 87' ' ' LEU . 88.7 mt -98.84 24.28 7.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -77.48 -33.22 54.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.117 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.86 19.57 3.3 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 113.234 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 m 58.32 75.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.158 0.504 . . . . 0.0 110.941 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD12 HD23 ' A' ' 83' ' ' LEU . 95.4 mt -93.37 128.11 43.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.25 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -69.14 162.64 40.95 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.685 2.257 . . . . 0.0 111.926 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.7 p-10 -60.2 -36.39 77.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.24 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -53.3 -40.82 65.05 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.374 0.421 . . . . 0.0 111.609 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -44.94 57.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.32 0.581 . . . . 0.0 109.885 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.95 -32.62 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.617 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -54.71 -46.03 74.12 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.356 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -62.08 -44.42 96.71 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.586 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.4 mt -56.6 -41.72 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.6 t -77.52 -44.84 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.51 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -72.04 -36.0 69.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.895 0.379 . . . . 0.0 111.415 -173.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -67.49 -41.02 85.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.258 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.601 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 9.7 p -70.64 -38.77 73.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.629 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -58.14 -43.21 87.21 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.266 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -57.51 -49.02 77.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.421 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.548 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 78.1 mt-30 -53.68 -55.02 29.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.849 178.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.438 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -54.59 -48.39 72.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.088 -175.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.04 -41.24 92.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.118 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -74.13 -24.89 59.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.409 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 93.8 mt -74.77 -21.68 59.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.786 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.82 HD11 HG11 ' A' ' 31' ' ' VAL . 97.0 mt -78.85 147.03 69.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.9 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.19 156.03 52.93 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.849 2.366 . . . . 0.0 112.199 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 3.9 mm-40 -48.84 -44.32 39.4 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.579 -177.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -49.04 -52.79 23.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -37.1 57.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.478 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -61.74 -36.87 82.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.029 -174.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 75.3 mmtt -63.81 -47.99 78.67 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.007 0.432 . . . . 0.0 110.647 177.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.62 -42.53 97.03 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.07 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.88 -37.7 80.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.209 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 112' ' ' ARG . 91.2 t -71.86 -30.28 36.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.428 . . . . 0.0 111.066 -178.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 26.5 mm-40 -69.62 -27.94 65.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.869 -177.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.797 -178.5 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.778 0.323 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.24 165.33 11.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 175.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.531 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 47.0 mm -58.83 -37.42 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.358 -178.149 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -60.99 -45.43 94.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.573 0.225 . . . . 0.0 111.206 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.65 -37.18 82.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.757 0.313 . . . . 0.0 110.158 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.645 HD11 HG21 ' A' ' 96' ' ' VAL . 49.8 tp -60.94 -49.52 77.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 176.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 81.1 mt -59.75 -37.52 79.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.782 178.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.84 -39.12 76.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.495 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -65.66 -32.73 74.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.1 m -66.9 -15.34 63.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.173 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.406 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 2.8 mmt -83.15 -0.63 50.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.153 0.501 . . . . 0.0 110.168 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.16 9.36 39.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.445 0.64 . . . . 0.0 109.896 174.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -111.64 100.23 47.45 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.124 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.01 117.36 4.1 Favored 'Trans proline' 0 CA--C 1.527 0.153 0 C-N-CA 122.586 2.191 . . . . 0.0 112.739 -175.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.2 -24.47 14.2 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.301 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.37 132.03 35.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.72 0.295 . . . . 0.0 110.679 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -131.63 151.73 51.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.945 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.568 ' HG2' HG12 ' A' ' 29' ' ' ILE . 47.6 mt-30 -107.86 145.45 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.564 -174.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 p -153.41 126.9 8.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.666 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.9 p -80.5 126.94 39.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 175.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -104.48 138.0 41.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.702 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -78.91 87.38 4.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.486 -174.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.28 -71.7 0.47 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.61 172.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -152.87 67.42 0.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.491 0.662 . . . . 0.0 110.0 170.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.6 tttt 57.46 74.05 0.44 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.297 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.668 ' HB2' ' HD3' ' A' ' 40' ' ' LYS . . . -130.62 113.35 14.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.106 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.564 ' HB ' ' CG1' ' A' ' 39' ' ' VAL . 31.8 m -94.4 117.31 29.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HB3' HD11 ' A' ' 35' ' ' LEU . 72.0 mt-30 -102.52 134.48 45.79 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.446 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.568 HG12 ' HG2' ' A' ' 18' ' ' GLN . 37.0 mt -110.08 118.77 57.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.343 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -135.8 169.34 17.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.309 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -94.23 -137.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 170.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.736 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 5.8 mm-40 -65.11 -56.87 10.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.059 0.457 . . . . 0.0 110.766 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -126.21 -11.49 6.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.1 t -96.57 110.58 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.764 -172.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 28' ' ' GLN . 60.6 tp -88.21 130.83 34.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 172.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -132.7 -18.97 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.11 140.68 32.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.517 ' SD ' ' HE2' ' A' ' 40' ' ' LYS . 15.5 ttm -138.7 115.69 10.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.562 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.564 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 7.3 p -90.53 125.11 43.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.668 ' HD3' ' HB2' ' A' ' 26' ' ' ALA . 2.4 tppt? -145.09 129.02 17.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.907 -173.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 47.1 mt-10 -90.06 110.92 21.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.28 0.562 . . . . 0.0 111.013 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.453 HG13 ' HE2' ' A' ' 82' ' ' TYR . 4.0 p -121.6 139.74 47.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 173.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 66.28 17.0 10.62 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.673 0.749 . . . . 0.0 108.985 -169.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 60.65 25.59 15.33 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.492 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.53 136.47 22.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 169.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 17.6 Cg_endo -58.25 123.6 14.0 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.785 2.324 . . . . 0.0 111.709 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -144.56 144.29 31.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.639 -176.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.83 129.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.122 0.487 . . . . 0.0 110.913 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 14.9 m -94.82 128.36 41.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.862 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mp -98.48 157.65 16.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.387 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -62.87 -54.52 37.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.667 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 53' ' ' SER . 4.6 t -172.38 -64.87 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.667 176.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.988 ' HB2' ' HB2' ' A' ' 56' ' ' LEU . 8.9 m 66.88 132.71 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.559 0 CA-C-O 121.412 0.625 . . . . 0.0 112.003 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.44 -57.85 0.42 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.536 2.157 . . . . 0.0 112.837 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.04 -31.66 72.34 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.728 0.299 . . . . 0.0 110.941 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.988 ' HB2' ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -67.67 -38.35 83.63 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.843 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.513 ' O ' ' HD3' ' A' ' 61' ' ' ARG . . . -57.08 -43.68 82.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.381 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -62.0 -51.18 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.15 175.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.4 tt -52.61 -47.71 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.144 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 75.2 mt -63.97 -32.52 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 2.1 mpt_? -76.84 -27.45 55.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.272 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.15 -45.6 14.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.626 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 59.92 -155.41 0.35 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 123.27 0.356 . . . . 0.0 111.236 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 75.35 -68.17 0.22 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.421 0.688 . . . . 0.0 111.965 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.5 m -92.17 -36.65 13.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.75 0.309 . . . . 0.0 110.955 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.21 121.45 38.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.727 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.524 ' H ' HD21 ' A' ' 87' ' ' LEU . 93.0 t 71.88 141.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.815 0.817 . . . . 0.0 112.654 174.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -124.9 154.68 70.98 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.374 174.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -39.53 110.87 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.912 3.075 . . . . 0.0 114.075 -175.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.652 ' HB3' ' HE1' ' A' ' 82' ' ' TYR . 36.4 p -88.55 106.0 18.01 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.588 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -95.06 49.84 1.24 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.398 0.618 . . . . 0.0 110.034 -175.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.491 ' HE1' ' HB3' ' A' ' 78' ' ' TRP . 6.7 p80 -95.11 -49.09 5.67 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.652 -175.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -147.28 -154.03 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -173.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -54.23 105.8 0.17 Allowed 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -71.99 -27.26 62.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.205 -173.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.25 21.07 3.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.199 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -145.7 -53.31 0.27 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 110.602 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.491 ' HB3' ' HE1' ' A' ' 72' ' ' HIS . 89.6 m95 -108.23 128.7 54.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.1 m -125.16 140.67 52.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.591 HG22 ' HB1' ' A' ' 47' ' ' ALA . 24.2 m -121.27 132.45 54.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.547 -172.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.6 t -90.46 113.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.512 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.652 ' HE1' ' HB3' ' A' ' 70' ' ' SER . 32.8 m-85 -87.65 129.25 35.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.543 -176.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.9 50.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 169.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.48 -81.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.132 -172.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.55 21.87 0.48 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 16.2 m -146.64 -171.07 3.67 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.524 HD21 ' H ' ' A' ' 67' ' ' VAL . 95.6 mt 74.57 145.02 0.11 Allowed Pre-proline 0 CA--C 1.532 0.272 0 O-C-N 124.013 0.821 . . . . 0.0 111.375 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 3.0 Cg_exo -75.96 141.64 24.18 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.928 2.418 . . . . 0.0 112.471 -177.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.45 -38.2 89.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.422 0.629 . . . . 0.0 110.031 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 93' ' ' TYR . 12.8 m -60.88 -28.22 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.022 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.602 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 5.2 tp60 -63.92 -35.36 80.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.246 -178.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.4 mt -60.37 -40.19 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.443 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 99.8 m-85 -56.29 -45.41 80.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.905 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.61 -42.69 77.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 56' ' ' LEU . 71.4 mt -59.14 -46.69 87.71 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.396 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.645 HG21 HD11 ' A' ' 6' ' ' LEU . 59.7 t -68.68 -44.54 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 36.8 t70 -66.24 -42.35 88.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.354 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.14 72.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 111.216 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.454 ' HA ' ' NE2' ' A' ' 102' ' ' GLN . 41.7 m -69.61 -34.53 74.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 110.239 177.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.407 ' O ' HG23 ' A' ' 104' ' ' VAL . 55.3 t80 -73.04 -37.95 66.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.707 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 31.6 mm-40 -56.86 -44.04 81.79 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 111.046 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 99' ' ' SER . 42.8 mt-30 -56.08 -40.9 74.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.169 178.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.569 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.93 -41.12 95.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 100' ' ' TYR . 58.0 t -62.75 -32.41 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -76.76 -21.17 55.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.6 mt -88.83 -33.1 17.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.003 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 96.4 mt -63.75 135.23 96.19 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.357 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.545 ' HG2' ' HG2' ' A' ' 111' ' ' LYS . 38.1 Cg_endo -69.81 -173.59 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.921 2.414 . . . . 0.0 113.302 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -53.42 -54.18 40.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.32 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.22 -53.11 55.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.823 -174.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.736 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 26.4 mmmt -65.14 -52.19 56.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.021 -171.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 116' ' ' VAL . 33.2 mtp85 -53.22 -49.81 66.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.896 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -57.25 -44.2 83.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.672 0.272 . . . . 0.0 111.613 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.03 -47.97 64.11 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.738 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 75.3 mt -67.75 -27.57 66.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.165 -173.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 112' ' ' ARG . 78.3 t -77.02 -30.46 17.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.042 0.448 . . . . 0.0 110.885 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -70.57 -28.54 64.96 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.472 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.835 -174.953 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.38 148.09 45.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.252 0.345 . . . . 0.0 110.919 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.452 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 39.5 mm -62.22 -34.48 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -175.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 p -59.85 -51.4 69.87 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -176.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.57 -34.99 79.55 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.879 0.371 . . . . 0.0 110.524 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.28 -45.77 83.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.946 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 72.4 mt -61.55 -36.44 80.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.087 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -64.57 -43.85 92.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.26 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -60.77 -32.56 71.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.364 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.6 m -59.68 -46.87 87.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.298 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mtp -85.43 0.63 51.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.76 0.314 . . . . 0.0 111.716 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.57 -20.99 61.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.188 0.518 . . . . 0.0 109.693 175.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -87.03 122.22 71.24 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.639 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.13 127.49 25.29 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.1 2.533 . . . . 0.0 112.841 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 108.04 -27.89 13.35 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.717 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 123.73 24.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.255 0.55 . . . . 0.0 111.956 -175.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -123.6 129.17 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.956 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HG2' HG12 ' A' ' 29' ' ' ILE . 43.6 mt-30 -103.89 138.31 40.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.634 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 m -141.96 111.51 6.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.48 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.9 p -75.67 116.52 18.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.349 0.595 . . . . 0.0 110.254 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.66 120.42 24.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.695 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -74.54 96.06 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.806 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -159.15 -67.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.868 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -144.61 34.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.017 0.437 . . . . 0.0 110.776 177.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.0 mttt 65.27 77.65 0.3 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.069 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -133.94 105.75 6.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.115 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.637 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 26.0 m -92.43 117.22 29.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.927 0.394 . . . . 0.0 110.148 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.485 ' HB3' HD13 ' A' ' 35' ' ' LEU . 46.4 mt-30 -99.81 123.92 44.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.247 -177.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.527 HG12 ' HG2' ' A' ' 18' ' ' GLN . 14.3 mt -104.07 117.2 49.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -129.17 149.09 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.152 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.557 ' HB ' HD22 ' A' ' 115' ' ' LEU . 20.1 m -93.95 11.44 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.372 0.606 . . . . 0.0 110.727 177.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 174.8 -82.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -142.69 16.02 1.97 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 166.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.06 103.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 114.398 -1.273 . . . . 0.0 109.735 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 28' ' ' GLN . 55.9 tp -81.61 110.5 17.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.58 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -95.15 -39.85 9.9 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.026 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.24 160.91 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.469 0.176 . . . . 0.0 110.67 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.458 ' CE ' HD21 ' A' ' 35' ' ' LEU . 17.4 ptp -148.38 150.61 33.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.435 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 7.6 p -110.7 133.96 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.159 0.504 . . . . 0.0 109.655 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.678 ' HE2' HD11 ' A' ' 73' ' ' LEU . 9.3 mtmp? -136.0 142.46 44.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 -177.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -99.03 111.29 23.73 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.89 144.79 27.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 65.05 21.4 12.25 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -173.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.0 t30 65.4 20.6 11.8 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.404 -175.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -118.91 129.76 25.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.374 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.43 107.74 1.67 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.208 1.939 . . . . 0.0 110.928 172.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -124.45 152.25 43.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.996 -175.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -115.99 141.34 33.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.365 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 79' ' ' SER . 67.2 m -115.45 124.71 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.925 0.393 . . . . 0.0 110.806 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -112.82 172.76 6.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.331 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -89.06 -176.7 5.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.781 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 t -77.99 77.59 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.775 0.798 . . . . 0.0 110.897 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.768 ' HB2' HD23 ' A' ' 56' ' ' LEU . 15.6 m -89.5 152.73 47.67 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.634 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.3 -56.69 2.57 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.277 2.651 . . . . 0.0 113.645 -177.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.83 -32.71 72.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.697 0.284 . . . . 0.0 111.146 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.768 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -70.27 -38.26 75.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.786 0.327 . . . . 0.0 110.574 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.48 87.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.343 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -68.46 -47.13 67.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.28 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.54 -42.04 67.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.731 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.27 -36.97 66.68 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 111.614 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -77.32 -49.09 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.492 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -78.23 -40.41 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -172.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -120.23 93.2 3.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.067 0.46 . . . . 0.0 109.903 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -117.14 2.72 12.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.286 0.565 . . . . 0.0 110.255 -173.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.7 m -84.85 33.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.922 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -166.0 -59.84 0.03 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 111.06 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.563 HG12 HG22 ' A' ' 81' ' ' VAL . 17.6 m -58.26 120.36 4.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.82 -176.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' O ' ' HB ' ' A' ' 80' ' ' THR . 73.3 mtm180 -132.27 103.41 13.92 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.298 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -57.85 -40.12 81.22 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.251 2.634 . . . . 0.0 112.695 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.3 t 72.58 147.05 0.08 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.796 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -75.9 -5.52 46.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.175 0.512 . . . . 0.0 110.446 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -31.21 63.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.252 178.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.678 HD11 ' HE2' ' A' ' 40' ' ' LYS . 87.4 mt -108.76 -25.17 10.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.874 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.8 t30 75.67 139.72 0.07 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.991 0.917 . . . . 0.0 110.745 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -53.43 -57.73 9.63 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -169.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.91 23.71 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -118.82 -58.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 91.6 m95 -135.68 148.06 48.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.5 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 49' ' ' SER . 35.6 t -125.67 131.89 52.53 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 68' ' ' ARG . 29.5 m -106.74 116.25 31.6 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.544 -171.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.563 HG22 HG12 ' A' ' 67' ' ' VAL . 43.2 t -95.72 126.34 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.743 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.447 ' HE1' ' HB2' ' A' ' 68' ' ' ARG . 68.2 m-85 -95.87 124.0 39.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.052 0.453 . . . . 0.0 110.52 -178.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.2 57.96 2.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.698 0.761 . . . . 0.0 110.777 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -89.49 -23.58 22.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.121 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.12 -0.58 6.09 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.602 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -67.61 -40.16 84.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 0.0 110.739 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.74 145.85 30.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.887 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.91 163.17 38.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.609 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.43 -38.09 88.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.348 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -60.93 -27.76 68.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.395 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.569 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 51.4 tp60 -62.83 -32.91 74.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.621 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.39 -41.19 88.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.29 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -59.92 -44.19 94.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.855 0.359 . . . . 0.0 110.971 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -62.29 -42.92 99.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.214 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 88.2 mt -55.63 -42.12 74.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.607 -176.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.53 -46.21 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.673 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -69.37 -37.93 77.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.767 0.318 . . . . 0.0 111.087 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.55 -34.79 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -177.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 p -73.09 -38.42 66.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.609 0.242 . . . . 0.0 110.877 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.471 ' O ' HG23 ' A' ' 104' ' ' VAL . 85.8 t80 -66.27 -45.23 81.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.1 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -54.6 45.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.857 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.33 -35.44 75.63 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.704 -175.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.0 -41.08 97.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 100' ' ' TYR . 59.0 t -64.5 -30.5 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -75.03 -23.7 58.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.64 -16.4 27.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.499 -175.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 HD11 ' A' ' 115' ' ' LEU . 90.9 mt -88.03 144.39 34.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.304 -176.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.59 168.14 20.72 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.891 2.394 . . . . 0.0 112.323 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.532 ' OE1' ' HE3' ' A' ' 113' ' ' LYS . 7.0 tp10 -54.12 -44.33 71.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.497 -176.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -48.62 -50.47 32.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.308 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.611 ' HA ' ' HE3' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -75.8 -41.79 51.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.006 0.431 . . . . 0.0 110.622 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.443 HH21 ' CD ' ' A' ' 109' ' ' GLU . 50.7 ttp180 -56.44 -39.37 73.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.737 -178.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 9.8 mmpt? -63.44 -48.06 79.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.967 0.413 . . . . 0.0 110.384 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 38.4 mt -63.9 -38.23 90.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.928 -176.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 77.4 mt -57.18 -37.59 72.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.061 0.457 . . . . 0.0 111.05 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 28.4 t -76.27 -28.34 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.444 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 31.5 mm-40 -75.1 -28.98 60.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.681 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 93.7 mt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.54 -0.743 . . . . 0.0 111.127 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.931 0.396 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.5 p -85.75 171.38 11.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.678 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 49.2 mm -60.9 -42.25 91.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.007 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.7 t -61.01 -36.87 80.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.874 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.15 -42.93 75.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.477 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD11 HG21 ' A' ' 96' ' ' VAL . 43.6 tp -62.79 -45.78 91.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.497 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 81.9 mt -59.91 -36.69 77.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.888 178.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 8' ' ' GLN . 6.9 tp60 -67.26 -40.25 86.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.808 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.46 -33.43 75.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 110.305 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.97 -31.61 71.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.325 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 4.0 mmt -70.06 -27.17 64.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.52 59.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.858 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -96.69 116.44 66.1 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.968 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.83 117.19 4.3 Favored 'Trans proline' 0 CA--C 1.527 0.171 0 C-N-CA 122.725 2.284 . . . . 0.0 112.932 -176.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.08 39.24 2.17 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.574 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.63 118.06 18.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.865 0.365 . . . . 0.0 110.985 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -113.09 140.71 47.64 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -114.41 120.61 40.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.15 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -126.11 108.9 11.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.05 121.06 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.327 0.584 . . . . 0.0 110.819 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 141.24 37.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.652 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -87.55 58.17 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -169.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -112.5 -51.06 2.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.646 171.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -111.39 4.12 18.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.2 tttt 63.11 28.38 16.03 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 122.388 1.09 . . . . 0.0 108.595 -169.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.7 119.42 22.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.357 -175.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.428 ' HB ' ' CG1' ' A' ' 39' ' ' VAL . 28.3 m -85.33 116.4 23.64 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 171.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -103.63 124.49 48.93 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.309 -172.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.1 mt -102.65 121.59 53.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.205 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.584 ' HB3' HD23 ' A' ' 35' ' ' LEU . 22.6 pttp -154.0 170.34 21.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.377 -173.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.486 HG23 ' HB ' ' A' ' 34' ' ' VAL . 2.0 t -78.94 -137.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 168.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -53.19 -57.0 11.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.475 0.58 . . . . 0.0 109.741 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -152.0 26.42 0.63 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.658 0.742 . . . . 0.0 109.864 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.486 ' HB ' HG23 ' A' ' 31' ' ' VAL . 57.3 t -98.29 110.99 26.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.006 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 30' ' ' LYS . 64.5 mt -86.32 128.0 34.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.277 0.56 . . . . 0.0 112.295 -175.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.511 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 51.3 p90 -134.11 -10.13 2.61 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.354 174.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.11 158.23 16.5 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -175.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.691 ' HG3' ' HB2' ' A' ' 49' ' ' SER . 10.2 ptp -154.06 147.6 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.692 174.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.428 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 11.4 p -127.36 137.73 56.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.923 0.392 . . . . 0.0 110.423 177.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -138.6 171.66 14.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.649 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -123.77 135.77 54.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 43' ' ' GLU . 3.7 p -139.07 128.4 30.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.544 ' HG3' HG22 ' A' ' 42' ' ' VAL . 40.3 mt-10 63.05 30.17 16.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.737 -175.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.5 t30 63.59 20.77 12.41 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.85 0.833 . . . . 0.0 110.213 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 45' ' ' ARG . 15.3 mtp180 -119.53 123.46 28.63 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.383 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 83' ' ' LEU . 30.7 Cg_endo -63.99 141.5 77.47 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.75 2.3 . . . . 0.0 112.677 -176.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.12 137.96 36.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.102 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -115.2 147.17 18.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.691 ' HB2' ' HG3' ' A' ' 38' ' ' MET . 17.0 m -139.97 117.92 11.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.976 0.417 . . . . 0.0 110.984 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 95' ' ' LEU . 7.0 mp -98.92 167.03 11.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.71 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' ' 52' ' ' THR . 49.1 tttm -68.42 169.96 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.427 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 2.7 p -71.48 76.53 0.78 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.301 0.572 . . . . 0.0 110.853 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.6 ' HB2' HD23 ' A' ' 56' ' ' LEU . 33.3 m -82.86 147.01 53.72 Favored Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.017 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.14 -53.93 4.72 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.84 2.36 . . . . 0.0 111.963 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.89 -33.25 73.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.49 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.6 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.6 mm? -68.33 -44.99 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.881 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.7 91.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.145 0.498 . . . . 0.0 110.404 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.76 -41.07 90.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.178 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.56 -51.43 59.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.634 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.34 -30.48 70.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.751 0.31 . . . . 0.0 111.562 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.89 ' HE ' ' HA ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -73.1 -35.87 66.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.136 -179.343 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.62 -49.64 7.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.782 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -100.45 116.52 32.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.265 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -60.82 -34.36 74.42 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.3 m 63.61 -173.11 0.16 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.829 171.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -130.76 83.99 2.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.21 146.57 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.854 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.492 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 3.3 mpt_? -115.29 103.3 54.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.708 0.289 . . . . 0.0 111.199 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.71 -179.37 5.08 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.857 2.372 . . . . 0.0 111.065 172.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.0 m 66.28 98.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.421 0.629 . . . . 0.0 111.063 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -144.12 -157.39 0.78 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -63.44 -38.44 91.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.996 0.427 . . . . 0.0 110.421 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.2 mt -81.15 145.79 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -84.96 136.47 33.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.886 0.374 . . . . 0.0 110.662 -176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.25 -29.89 66.13 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.734 -173.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -76.23 17.27 0.37 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.52 -61.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 0.0 110.467 175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.405 ' HH2' ' HB3' ' A' ' 35' ' ' LEU . 79.0 m95 -136.52 163.97 29.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.64 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 m -125.84 126.72 44.95 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 173.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.0 m -102.28 114.56 28.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.342 -172.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -102.83 116.2 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.603 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -75.43 128.96 36.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.551 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 80.2 mt -79.21 63.21 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 172.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -137.52 -42.24 0.55 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.838 -171.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.21 62.49 4.12 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.435 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.1 t 73.34 -90.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.538 0.735 . . . . 0.0 110.68 -176.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 48.91 80.69 0.28 Allowed Pre-proline 0 N--CA 1.464 0.255 0 C-N-CA 122.853 0.461 . . . . 0.0 112.182 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.614 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 18.7 Cg_endo -60.24 142.29 97.88 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.349 2.033 . . . . 0.0 111.815 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.9 -19.29 65.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.423 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -62.8 -31.12 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.614 ' HG2' ' HG2' ' A' ' 88' ' ' PRO . 81.3 mm-40 -72.3 -46.31 56.28 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.096 0.474 . . . . 0.0 109.8 177.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.6 mt -59.03 -39.7 78.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.775 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -54.53 -42.02 70.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.901 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -77.6 -35.74 52.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.963 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 91.1 mt -58.95 -42.4 89.72 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.252 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.441 HG21 HD11 ' A' ' 6' ' ' LEU . 86.3 t -63.18 -43.22 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.13 0.49 . . . . 0.0 110.841 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.63 -39.62 77.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.992 0.425 . . . . 0.0 110.741 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.27 88.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.617 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.511 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 13.3 p -69.32 -34.54 74.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.642 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.09 -41.52 81.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.67 0.272 . . . . 0.0 111.169 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -53.66 55.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.581 -178.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -59.99 -33.23 71.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.433 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -63.78 -42.09 97.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.748 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.46 -36.5 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -68.32 -27.51 66.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.738 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.1 mt -86.68 -8.73 57.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.181 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 95.5 mt -85.79 137.39 35.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.812 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 26.0 Cg_exo -63.84 158.75 45.24 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.8 2.333 . . . . 0.0 111.848 176.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 6.0 tp10 -50.54 -46.66 57.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.684 -176.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -48.62 -50.74 31.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.532 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.97 -44.07 90.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.854 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 109' ' ' GLU . 20.0 mtm180 -60.37 -40.26 90.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.473 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 11.3 mmpt? -59.96 -46.62 88.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.338 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.71 -46.35 87.52 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.493 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.32 -29.98 70.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.903 -177.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 112' ' ' ARG . 99.1 t -79.1 -36.62 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 111.059 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.88 -28.86 67.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 99.5 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.751 -0.643 . . . . 0.0 110.391 -179.419 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 48.3 ttp . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p -75.58 165.97 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.455 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 50.2 mm -59.66 -35.06 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.763 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.3 t -60.41 -40.37 90.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.384 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 31.8 mt-10 -69.91 -39.04 76.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 96' ' ' VAL . 2.9 tm? -63.54 -45.27 91.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.022 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 84.3 mt -59.83 -40.21 87.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.555 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -63.15 -42.09 99.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.596 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -61.86 -36.21 80.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.1 m -73.3 -17.37 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.178 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.417 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 1.5 mmt -79.92 -10.7 59.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.064 0.459 . . . . 0.0 110.542 178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.522 ' O ' ' HD3' ' A' ' 14' ' ' PRO . . . -87.11 0.85 54.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.307 176.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -103.04 96.79 8.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.417 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 12' ' ' ALA . 15.7 Cg_exo -68.28 100.05 0.63 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.7 2.266 . . . . 0.0 111.838 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.56 -20.05 2.4 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.355 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.61 119.03 31.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.723 0.297 . . . . 0.0 110.649 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.01 132.37 52.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.945 0.402 . . . . 0.0 110.182 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.539 ' HG2' HG12 ' A' ' 29' ' ' ILE . 71.6 mt-30 -109.86 122.19 46.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.582 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -128.17 150.42 50.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.341 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.66 123.76 42.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.262 0.554 . . . . 0.0 110.508 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' ND1' ' HB3' ' A' ' 23' ' ' ASP . 11.7 t-80 -87.06 113.42 22.8 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -76.64 55.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.056 0.931 . . . . 0.0 110.769 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 27.6 t70 -155.76 101.74 2.16 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.548 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 18.8 m95 78.89 -5.24 2.04 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.396 1.06 . . . . 0.0 110.433 -170.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt 51.74 78.62 0.12 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.69 0.757 . . . . 0.0 110.269 -175.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' ' 40' ' ' LYS . . . -127.06 148.0 50.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.517 -177.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.469 ' HB ' ' CG2' ' A' ' 39' ' ' VAL . 23.9 m -93.1 118.44 31.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.0 0.429 . . . . 0.0 110.431 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -95.27 114.63 26.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.759 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.539 HG12 ' HG2' ' A' ' 18' ' ' GLN . 45.4 mt -102.69 108.33 23.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' NZ ' ' HA ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -136.06 150.52 49.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -177.22 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 107' ' ' LEU . 1.9 t -79.69 -134.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' HG3' ' CG ' ' A' ' 111' ' ' LYS . 20.1 mm-40 -52.43 -67.33 0.26 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.168 0.509 . . . . 0.0 110.49 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.558 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 24.0 t0 -147.65 36.13 0.87 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.764 0.793 . . . . 0.0 110.279 176.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.9 t -116.87 99.16 7.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.624 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.8 tp -84.34 97.86 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -96.47 -24.89 15.88 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.851 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.77 123.39 12.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.248 0.547 . . . . 0.0 111.878 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.6 ttt -125.82 114.68 18.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.46 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.469 ' CG2' ' HB ' ' A' ' 27' ' ' THR . 27.4 m -97.09 142.5 14.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.598 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -153.16 104.16 2.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.013 0.435 . . . . 0.0 110.816 -176.312 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 2.4 mp0 -92.13 117.62 30.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.473 0.654 . . . . 0.0 111.257 -177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 2.7 p -96.9 110.31 24.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.516 176.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 61.04 26.63 16.56 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 -177.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.6 t30 75.42 22.4 1.66 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.467 0.707 . . . . 0.0 110.698 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -85.56 107.56 12.9 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 167.072 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.751 ' HB2' ' HG ' ' A' ' 83' ' ' LEU . 24.6 Cg_exo -62.81 124.73 14.59 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.036 2.49 . . . . 0.0 112.401 -174.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.93 121.04 10.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.321 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.77 125.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.282 0.563 . . . . 0.0 110.43 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 79' ' ' SER . 6.9 m -100.94 115.57 30.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.653 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -98.68 155.77 17.16 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -80.47 36.57 0.37 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.686 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.5 m 67.49 106.01 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.408 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.834 ' HB2' HD23 ' A' ' 56' ' ' LEU . 14.7 m -126.61 147.49 60.85 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.195 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.09 -64.94 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.535 2.823 . . . . 0.0 113.923 -174.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.92 -30.09 61.1 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.834 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -63.53 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.798 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -73.17 -42.46 62.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 1.6 mp0 -61.89 -43.24 99.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.582 176.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.6 -51.04 68.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.853 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.734 ' HB2' HG11 ' A' ' 67' ' ' VAL . 3.6 pp -67.25 -31.15 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.86 -176.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 3.0 mpt_? -61.68 -38.29 87.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.068 177.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 58' ' ' GLU . 29.4 mm-40 -89.73 -45.99 8.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 -175.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.52 -51.63 54.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -174.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 62.41 -159.71 0.31 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -173.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t 70.12 -81.73 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 170.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 86' ' ' SER . 2.7 t70 -92.85 -8.32 43.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.664 0.268 . . . . 0.0 111.678 -167.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.734 HG11 ' HB2' ' A' ' 60' ' ' LEU . 41.4 t -82.07 129.75 36.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.241 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.497 HH22 ' HB3' ' A' ' 84' ' ' ASP . 1.0 OUTLIER -153.83 91.73 3.19 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.211 -172.78 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -64.89 104.18 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.753 2.302 . . . . 0.0 111.129 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.0 m -119.01 168.83 10.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.15 -171.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -71.33 82.93 0.77 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.909 0.861 . . . . 0.0 110.999 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.537 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 23.6 p80 -90.15 -29.03 18.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.9 175.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 72' ' ' HIS . 56.6 mt -165.78 -55.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -143.67 150.12 38.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.353 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -71.04 -61.34 1.8 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.148 0.28 . . . . 0.0 111.361 -177.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 77' ' ' HIS . . . -113.84 93.73 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 76' ' ' ALA . 5.5 t-80 175.69 -48.41 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 172.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.494 ' HB2' ' HE1' ' A' ' 72' ' ' HIS . 96.7 m95 -112.64 145.06 41.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.096 -0.957 . . . . 0.0 108.764 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' SER . 33.6 t -125.01 132.97 53.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.4 m -122.89 119.92 31.92 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.647 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.457 ' O ' HD23 ' A' ' 83' ' ' LEU . 49.0 t -90.99 104.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.8 176.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -79.08 93.54 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.751 ' HG ' ' HB2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -79.08 82.75 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.658 0.742 . . . . 0.0 111.585 -174.632 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.497 ' HB3' HH22 ' A' ' 68' ' ' ARG . 11.3 t70 -89.52 -34.86 16.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.506 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.46 32.02 0.17 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.162 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.906 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -88.95 -64.55 1.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.626 -175.35 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.906 HD22 ' HB2' ' A' ' 86' ' ' SER . 2.3 mm? -111.97 138.65 21.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.856 -176.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 5.7 Cg_exo -78.66 174.32 12.45 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.027 2.484 . . . . 0.0 112.394 175.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.64 -55.74 12.61 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.34 0.656 . . . . 0.0 111.863 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 93' ' ' TYR . 11.9 m -58.7 -34.13 70.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.467 -174.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 87' ' ' LEU . 22.9 tp60 -70.08 -32.82 71.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.405 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 88' ' ' PRO . 56.8 mt -67.2 -42.45 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.885 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 91.3 m-85 -57.57 -40.94 80.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.308 0.575 . . . . 0.0 110.061 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.05 -41.99 94.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.931 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 92.6 mt -68.61 -44.3 74.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.481 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.824 HG21 HD21 ' A' ' 6' ' ' LEU . 93.1 t -66.24 -41.79 89.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 111.06 -178.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -37.26 79.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.6 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.68 77.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.242 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 6.5 p -64.97 -31.57 72.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.972 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.51 ' O ' HG23 ' A' ' 104' ' ' VAL . 83.5 t80 -73.63 -43.4 59.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.274 175.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -45.0 93.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.897 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 99' ' ' SER . 3.8 pt20 -61.42 -31.64 71.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.773 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -74.95 -28.83 60.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.812 0.339 . . . . 0.0 111.334 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.526 HG13 HD13 ' A' ' 115' ' ' LEU . 93.9 t -70.02 -42.0 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.794 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -73.97 -16.16 61.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 111.076 -177.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 93.0 mt -87.35 -5.97 58.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.98 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.507 HD11 HG11 ' A' ' 31' ' ' VAL . 92.6 mt -83.97 139.22 39.87 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 0.0 111.146 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.468 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 20.4 Cg_exo -66.58 -179.31 1.53 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.186 2.591 . . . . 0.0 113.112 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.635 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 12.5 tp10 -54.12 -57.65 10.32 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.773 -174.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -52.41 -47.76 66.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.364 0.602 . . . . 0.0 111.635 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.53 ' CG ' ' HG3' ' A' ' 32' ' ' GLU . 3.9 mptp? -62.65 -43.52 98.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.709 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 116' ' ' VAL . 40.5 mtt180 -62.98 -27.79 69.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.288 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 7.5 mmpt? -61.34 -50.03 74.56 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.148 0.499 . . . . 0.0 110.024 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.46 -42.4 96.11 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.483 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.526 HD13 HG13 ' A' ' 104' ' ' VAL . 98.4 mt -62.03 -26.62 68.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.682 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 112' ' ' ARG . 66.8 t -83.11 -36.87 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.895 0.378 . . . . 0.0 110.26 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -62.65 -44.21 96.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.256 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.014 -177.405 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p -96.25 130.11 43.41 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.242 0.544 . . . . 0.0 111.313 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.555 HG13 ' HB3' ' A' ' 46' ' ' PRO . 44.4 mm -70.68 -22.12 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.868 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.6 m -51.65 -47.8 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.022 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.96 -35.4 50.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.342 . . . . 0.0 110.81 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.89 -43.47 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.189 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -62.8 -45.99 90.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.288 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.8 -37.32 83.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.244 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -63.94 -32.63 74.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.853 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.3 m -68.73 -26.88 65.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.446 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.9 mtp -80.1 -10.06 59.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.572 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.15 -0.88 57.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.399 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -90.38 117.3 67.91 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.85 113.18 1.88 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.884 2.389 . . . . 0.0 113.275 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.39 -10.07 17.12 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.54 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.69 127.12 39.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.078 0.466 . . . . 0.0 111.542 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -124.3 156.13 37.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -89.96 120.97 31.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.764 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -112.19 104.67 12.88 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -91.98 125.34 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.281 0.562 . . . . 0.0 110.98 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.29 111.11 22.45 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -77.77 79.01 4.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.343 0.592 . . . . 0.0 111.772 -171.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' HB2' ' HD1' ' A' ' 24' ' ' TRP . 10.0 m-20 -136.88 -69.11 0.47 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 171.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.41 ' HD1' ' HB2' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -119.27 21.05 12.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.126 171.314 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 62.19 40.3 11.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.527 -1.215 . . . . 0.0 112.547 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.62 120.93 14.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 171.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.3 m -100.68 117.57 35.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.135 0.493 . . . . 0.0 111.038 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -94.08 121.95 36.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.4 mt -97.6 107.98 20.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.689 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 20.3 pttp -153.63 168.43 26.24 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.526 -174.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.48 HG21 HD21 ' A' ' 107' ' ' LEU . 27.5 m -88.96 -146.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.544 176.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -49.21 -51.94 29.91 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -154.23 18.4 0.49 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.141 0.496 . . . . 0.0 111.379 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.464 ' HB ' HG22 ' A' ' 31' ' ' VAL . 54.2 t -108.26 106.55 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.836 0.351 . . . . 0.0 110.447 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.689 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 59.0 tp -94.83 121.08 36.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.512 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.49 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 46.5 p90 -110.83 -29.27 8.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.494 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.6 144.08 19.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.341 . . . . 0.0 111.123 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -140.27 136.19 33.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.635 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -102.36 134.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.004 0.431 . . . . 0.0 110.721 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.519 ' NZ ' ' HB2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -150.17 119.76 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -178.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.522 ' OE2' ' HA ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -83.08 114.47 21.32 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.299 0.571 . . . . 0.0 111.127 -179.402 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.8 p -117.5 143.43 28.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 42' ' ' VAL . 51.4 mt-10 66.27 15.52 10.12 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -171.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.9 t30 67.6 11.49 8.4 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.167 -172.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.476 ' HD2' ' OD1' ' A' ' 84' ' ' ASP . 48.1 mtm180 -106.8 133.54 20.22 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.929 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.608 ' HB2' ' HB2' ' A' ' 83' ' ' LEU . 48.1 Cg_exo -57.15 134.52 64.74 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.806 2.337 . . . . 0.0 112.621 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.94 127.56 9.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.453 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.93 136.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 -175.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 79' ' ' SER . 9.6 t -111.13 115.83 30.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.933 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 99' ' ' SER . 6.7 mp -99.0 155.96 17.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.635 178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -78.42 167.73 20.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -43.01 111.77 0.3 Allowed 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.629 0.58 . . . . 0.0 112.073 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.634 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . 39.3 t -129.66 139.04 34.49 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.074 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 76.9 Cg_exo -50.28 -63.92 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.091 2.528 . . . . 0.0 112.851 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.74 -34.32 78.04 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.634 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 4.4 mm? -65.76 -41.55 91.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.692 0.282 . . . . 0.0 110.57 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.57 68.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.394 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 54' ' ' PRO . 26.0 mm-40 -61.14 -41.36 96.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.066 177.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.2 tp -52.75 -37.65 59.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.896 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.8 tp -71.15 -34.01 70.6 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.541 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 61' ' ' ARG . 4.6 mpt_? -75.58 -49.56 18.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.917 0.389 . . . . 0.0 110.999 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.55 -51.63 11.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.958 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -108.0 154.57 21.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.991 0.424 . . . . 0.0 110.299 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -139.62 158.49 44.03 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.796 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 m 62.77 -163.87 0.26 Allowed 'General case' 0 CA--C 1.535 0.404 0 O-C-N 123.689 0.618 . . . . 0.0 111.796 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t70 72.45 -81.3 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.455 0.702 . . . . 0.0 111.949 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.017 0.437 . . . . 0.0 110.115 179.666 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.945 0.402 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -94.95 -28.09 15.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.33 -66.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.323 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.569 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 39.6 t-20 -166.06 120.26 1.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -86.3 -26.87 24.7 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -169.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.9 -30.44 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.807 -176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -93.51 -21.85 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.01 0.434 . . . . 0.0 110.776 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.569 ' HD1' ' HB3' ' A' ' 74' ' ' ASN . 86.7 m95 -131.2 168.66 17.11 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 49' ' ' SER . 14.5 m -136.87 125.76 24.18 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.9 m -106.5 114.55 28.73 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.168 0.509 . . . . 0.0 110.733 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.3 t -98.13 115.01 37.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.8 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -72.01 99.6 2.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.939 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . 89.1 mt -69.0 -40.0 79.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.61 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.476 ' OD1' ' HD2' ' A' ' 45' ' ' ARG . 15.9 t70 68.42 -57.26 0.49 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.095 0.872 . . . . 0.0 112.983 171.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.17 -33.95 2.38 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.9 t -85.73 -3.44 58.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.61 -0.295 . . . . 0.0 111.341 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.82 136.56 54.74 Favored Pre-proline 0 C--O 1.238 0.463 0 CA-C-O 120.732 0.301 . . . . 0.0 110.479 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.65 142.19 63.22 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.989 2.459 . . . . 0.0 112.675 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 6.7 p-10 -65.19 -30.18 71.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.852 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -51.12 -48.38 61.77 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.652 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 36.2 tt0 -73.27 -40.38 64.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.939 -177.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 96' ' ' VAL . 63.3 mt -61.6 -45.09 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.022 -174.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.443 ' CE2' ' HB2' ' A' ' 89' ' ' ASP . 29.7 m-85 -58.41 -41.21 84.47 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.944 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.02 -37.92 87.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.729 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 93.9 mt -65.25 -39.23 92.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 92' ' ' ILE . 99.1 t -60.72 -52.41 61.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.788 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.479 ' HA ' ' HB3' ' A' ' 100' ' ' TYR . 2.1 m-20 -66.76 -28.98 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.54 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -59.42 -50.58 73.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 0.0 110.503 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.548 ' HB3' HD23 ' A' ' 50' ' ' LEU . 5.3 p -71.56 -34.49 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.479 ' HB3' ' HA ' ' A' ' 97' ' ' ASP . 39.8 t80 -63.8 -43.2 97.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.731 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -44.59 90.59 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 22.6 mt-30 -58.36 -44.4 88.8 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.56 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -57.18 -44.66 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.81 -38.66 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -68.81 -29.52 67.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 98.7 mt -84.46 -5.23 59.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.594 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 87.9 mt -86.71 137.88 33.65 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.659 0.266 . . . . 0.0 110.789 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.499 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 26.4 Cg_exo -64.03 175.02 3.42 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.94 2.427 . . . . 0.0 112.173 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 8.2 tp10 -54.85 -51.49 65.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.102 -175.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -48.8 -49.47 38.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.749 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.499 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 4.3 mptp? -69.34 -47.14 65.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.358 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.2 mtp180 -59.76 -41.39 90.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.696 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 75.8 mmtt -56.65 -34.31 67.2 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.739 0.304 . . . . 0.0 111.36 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.41 -47.65 59.81 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.24 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.85 -26.9 67.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.678 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 112' ' ' ARG . 92.3 t -66.16 -28.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.169 0.509 . . . . 0.0 110.821 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.468 ' HA ' ' OE1' ' A' ' 117' ' ' GLN . 11.3 mm-40 -75.35 -28.9 59.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.543 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.814 -0.613 . . . . 0.0 111.209 -175.638 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.498 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 58.0 ttp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.906 0.384 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.38 -176.51 3.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.809 177.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.508 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 82.2 mt -57.51 -44.84 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -173.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -62.91 -42.49 99.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.519 0.199 . . . . 0.0 111.239 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.498 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 2.1 mp0 -66.27 -36.77 83.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.55 HD11 HG21 ' A' ' 96' ' ' VAL . 43.2 tp -63.59 -45.09 91.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.031 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 87.8 mt -61.66 -42.96 99.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.316 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.66 -45.16 92.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.48 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.41 -42.42 99.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.865 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.9 m -71.11 -13.61 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.353 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.514 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 3.8 mmt -85.17 -36.97 20.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 110.058 175.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' HD3' ' A' ' 14' ' ' PRO . . . -75.26 -11.27 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.092 175.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -99.41 101.31 12.68 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.759 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 12' ' ' ALA . 37.7 Cg_exo -60.39 156.84 38.87 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.244 2.629 . . . . 0.0 113.087 -174.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.35 -36.04 3.94 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.851 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.27 126.4 32.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.241 0.543 . . . . 0.0 110.896 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -119.77 138.76 53.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.159 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -106.03 125.45 51.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -175.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 m -115.27 118.92 34.63 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.065 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -138.08 135.37 45.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.408 0.623 . . . . 0.0 111.671 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -114.78 128.78 56.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.712 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -79.95 67.83 5.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.638 0.732 . . . . 0.0 110.648 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -105.34 -69.05 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -117.01 -4.39 11.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 166.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt 70.6 96.93 0.07 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.767 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . . . -127.69 101.35 6.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.748 172.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.558 ' HB ' HG23 ' A' ' 39' ' ' VAL . 20.8 m -81.18 116.95 21.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 110.285 -175.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -99.28 121.14 40.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.467 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mt -99.58 111.43 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -132.84 169.51 16.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.809 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.471 HG12 ' OE1' ' A' ' 32' ' ' GLU . 1.9 t -83.75 -135.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 170.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -54.43 -62.54 1.59 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.051 0.453 . . . . 0.0 110.098 172.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -137.94 3.61 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.573 0.701 . . . . 0.0 110.219 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.7 t -86.74 101.71 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.738 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.5 tp -84.76 123.23 30.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.86 176.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -112.3 -33.93 6.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.712 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.72 156.33 27.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.275 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -146.85 141.83 27.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.959 0.409 . . . . 0.0 111.24 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.558 HG23 ' HB ' ' A' ' 27' ' ' THR . 4.1 m -99.28 109.9 25.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.872 175.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 26' ' ' ALA . 33.1 pttt -103.5 123.74 47.45 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.087 -175.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.53 110.64 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 p -122.96 113.6 38.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.696 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 62.85 27.19 15.92 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t30 69.35 -0.69 2.45 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.602 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -95.13 133.68 25.82 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.915 0.388 . . . . 0.0 110.239 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' ' 83' ' ' LEU . 38.2 Cg_endo -66.4 117.07 4.42 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.179 2.586 . . . . 0.0 113.685 -173.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 40' ' ' LYS . . . -125.63 128.66 48.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.543 172.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.682 HG11 HD13 ' A' ' 95' ' ' LEU . 13.4 p -115.57 147.47 18.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.929 0.395 . . . . 0.0 110.498 -176.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' A' ' 79' ' ' SER . 71.1 m -128.29 124.88 37.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 50' ' ' LEU . 5.0 mp -106.27 146.66 30.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.597 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -59.33 -49.23 78.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.924 0.392 . . . . 0.0 110.442 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.3 t -173.9 143.01 0.92 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.281 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.638 ' HB2' ' HB2' ' A' ' 56' ' ' LEU . 54.3 m -157.29 135.47 7.43 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.981 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.47 -57.48 0.87 Allowed 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.921 2.414 . . . . 0.0 113.21 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.63 -34.57 75.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.543 0.211 . . . . 0.0 110.998 -176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -63.77 -39.86 95.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.698 0.285 . . . . 0.0 110.679 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.526 ' O ' ' HD2' ' A' ' 61' ' ' ARG . . . -68.47 -37.3 80.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.226 176.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.79 -42.27 99.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.421 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -52.85 -34.84 56.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.127 ' HA ' HG11 ' A' ' 67' ' ' VAL . 4.2 tt -64.11 -42.9 96.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.313 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.526 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 1.7 mpt_? -75.6 -36.59 60.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.833 0.349 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -77.39 -63.29 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.447 ' O ' HG12 ' A' ' 67' ' ' VAL . 24.2 mm-40 -118.98 105.74 11.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.564 0.221 . . . . 0.0 111.466 -171.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -79.77 8.15 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.4 m -110.77 -20.87 12.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.059 0.457 . . . . 0.0 110.901 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.86 -24.9 24.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.055 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 1.127 HG11 ' HA ' ' A' ' 60' ' ' LEU . 14.7 p . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.264 177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.854 0.359 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -67.1 -19.31 65.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.25 0.548 . . . . 0.0 109.6 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.1 mt -140.81 -63.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.628 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -156.36 123.99 5.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -85.32 -28.68 25.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.178 -172.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.96 -36.08 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -169.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -88.07 -27.99 21.62 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.19 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -106.03 164.53 11.9 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.615 ' O ' ' HA ' ' A' ' 49' ' ' SER . 14.8 m -125.44 126.83 45.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.031 0.443 . . . . 0.0 109.991 177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -109.26 114.97 29.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.401 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.453 ' HB ' ' CG1' ' A' ' 48' ' ' VAL . 60.8 t -103.88 115.95 46.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.031 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -86.35 113.46 22.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.116 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.65 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 82.0 mt -81.16 70.22 7.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.793 0.806 . . . . 0.0 109.257 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -145.06 96.7 2.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.463 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.83 -53.51 4.69 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.137 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.3 m -81.97 140.53 33.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.425 0.155 . . . . 0.0 111.314 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.452 HD22 ' HG3' ' A' ' 91' ' ' GLN . 80.0 mt 71.05 128.93 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.371 0 O-C-N 124.122 0.889 . . . . 0.0 112.521 176.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -83.9 -177.86 3.29 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.046 2.498 . . . . 0.0 112.6 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -58.96 -37.92 77.89 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.169 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -53.92 -40.76 67.0 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.726 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.625 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 27.0 mm-40 -67.31 -35.83 80.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.489 ' HA ' HD12 ' A' ' 95' ' ' LEU . 36.6 mt -62.67 -39.38 84.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 -177.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -60.33 -46.2 90.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.095 0.474 . . . . 0.0 110.091 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -68.56 -33.21 73.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.031 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.682 HD13 HG11 ' A' ' 48' ' ' VAL . 96.3 mt -54.48 -47.8 72.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.137 0.494 . . . . 0.0 110.902 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.55 HG21 HD11 ' A' ' 6' ' ' LEU . 89.5 t -75.92 -44.39 38.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.695 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -60.73 -52.61 64.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.671 -175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.85 95.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.745 0.307 . . . . 0.0 111.244 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.752 ' HA ' HE21 ' A' ' 102' ' ' GLN . 31.4 m -63.67 -45.01 92.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 104' ' ' VAL . 76.3 t80 -64.79 -44.35 90.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.576 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -61.96 -49.5 75.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.473 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.752 HE21 ' HA ' ' A' ' 99' ' ' SER . 29.1 pt20 -63.1 -32.72 74.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.054 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -67.35 -38.51 84.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.45 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 100' ' ' TYR . 97.5 t -66.18 -35.86 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.84 -24.08 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.853 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 94.8 mt -87.69 -7.61 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.788 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 92.4 mt -82.43 149.91 62.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.644 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.41 163.75 22.71 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.966 2.444 . . . . 0.0 112.381 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 5.0 tp10 -52.53 -47.73 66.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.944 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.571 ' HA ' ' HE2' ' A' ' 113' ' ' LYS . 34.3 tt0 -51.63 -50.31 60.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.017 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.7 -44.21 82.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.547 -174.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 116' ' ' VAL . 30.0 mtm180 -62.89 -41.13 99.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.256 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 110' ' ' GLU . 46.8 mtmt -61.37 -33.61 73.94 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.782 0.325 . . . . 0.0 110.993 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 71.4 mt -71.59 -42.39 67.8 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.778 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.423 HD23 HD12 ' A' ' 118' ' ' LEU . 98.6 mt -62.13 -28.5 69.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.584 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 112' ' ' ARG . 85.7 t -70.05 -35.3 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 0.0 110.692 177.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -75.19 -28.52 60.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.478 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 92.3 mt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.205 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.589 ' HB2' ' HB2' ' A' ' 89' ' ' ASP . 3.7 tmm? . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.42 159.93 14.99 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.138 -175.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.47 HD11 HD12 ' A' ' 83' ' ' LEU . 48.8 mm -54.86 -40.89 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.32 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -35.49 73.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.179 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -77.2 -36.3 54.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.016 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.401 HD21 HG21 ' A' ' 96' ' ' VAL . 3.0 tm? -61.91 -41.1 97.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.582 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 91.1 mt -59.42 -39.18 82.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.951 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -73.01 -38.65 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.461 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -58.83 -37.35 76.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.073 0.464 . . . . 0.0 110.983 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.5 m -68.49 -18.9 64.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.315 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.2 mmt -77.86 -5.82 52.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.984 0.421 . . . . 0.0 110.816 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.18 -10.03 37.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.188 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 75.6 mmtt -95.88 122.12 59.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.018 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 28.1 Cg_exo -62.07 128.1 23.12 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.463 2.109 . . . . 0.0 112.378 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.83 -18.34 56.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.999 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.92 119.66 25.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 110.899 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -131.55 145.89 51.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.186 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' NE2' ' HB3' ' A' ' 7' ' ' LEU . 79.2 mt-30 -90.75 122.17 33.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.187 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -136.49 137.54 40.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.83 109.34 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.846 0.831 . . . . 0.0 109.808 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -101.08 133.83 45.0 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.898 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -52.19 114.51 1.36 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.795 0.684 . . . . 0.0 110.138 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -168.44 -103.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.216 -170.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.595 ' HZ2' ' HB3' ' A' ' 72' ' ' HIS . 34.0 m0 -116.66 21.09 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 170.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 58.09 82.93 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.164 -163.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -133.64 148.52 51.53 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.279 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.3 m -79.63 116.6 19.92 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.15 0.5 . . . . 0.0 109.868 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.527 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 79.6 mt-30 -117.72 114.02 22.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.947 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.8 mt -93.07 108.32 20.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.297 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.59 154.11 51.13 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.579 -172.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.557 HG12 ' H ' ' A' ' 32' ' ' GLU . 6.2 t -86.13 174.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 169.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.618 ' HG3' ' HD3' ' A' ' 111' ' ' LYS . 10.7 mm-40 -26.78 -52.52 0.06 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -134.67 3.58 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.279 0.562 . . . . 0.0 110.92 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -108.63 101.01 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.449 . . . . 0.0 111.728 -171.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.433 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 69.0 tp -87.84 102.17 14.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -100.75 -18.64 16.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.522 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.22 118.53 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.313 0.577 . . . . 0.0 111.173 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.527 ' HB2' ' HG2' ' A' ' 28' ' ' GLN . 24.2 ptm -128.79 131.9 47.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.985 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.554 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 12.3 p -104.83 127.55 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.309 0.576 . . . . 0.0 110.133 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.79 ' HE2' HD11 ' A' ' 73' ' ' LEU . 25.3 mtpp -127.17 111.03 13.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.695 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.496 ' OE2' ' HA ' ' A' ' 44' ' ' ASN . 32.0 tt0 -78.68 111.88 15.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 p -108.95 111.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.55 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 61.52 36.76 16.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.687 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.496 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 2.4 t-20 73.35 13.69 4.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.375 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 45' ' ' ARG . 51.7 mtt180 -102.72 126.7 32.02 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.556 173.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -72.18 110.98 3.08 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.506 2.138 . . . . 0.0 112.226 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.39 135.18 54.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.259 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -116.69 138.52 47.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.413 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t -120.19 132.06 55.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.916 0.388 . . . . 0.0 110.261 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.005 ' HB2' HD11 ' A' ' 56' ' ' LEU . 8.7 mp -113.64 172.8 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.431 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 35' ' ' LEU . 67.4 mttm -74.56 167.13 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 170.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.9 m -67.15 97.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.109 0.481 . . . . 0.0 109.787 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.0 m -116.56 151.24 46.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.909 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 37.9 Cg_exo -57.57 -37.17 97.91 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.686 2.257 . . . . 0.0 112.03 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -63.89 -42.76 97.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.785 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.005 HD11 ' HB2' ' A' ' 50' ' ' LEU . 12.9 mt -64.25 -36.78 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.026 175.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -62.27 -35.56 79.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.93 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 38.7 mt-10 -55.89 -54.31 46.2 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.965 0.412 . . . . 0.0 110.476 177.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.6 mp -56.4 -40.32 74.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.758 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.9 tp -68.49 -31.88 71.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.529 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 57' ' ' ALA . 37.8 mmt180 -74.75 -33.82 62.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.043 0.449 . . . . 0.0 110.689 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -86.65 -33.21 20.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.489 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 62.19 24.76 14.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.859 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -101.23 19.69 17.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.701 0.763 . . . . 0.0 109.512 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.689 ' HB3' HD21 ' A' ' 87' ' ' LEU . 34.7 m -150.15 159.32 44.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.525 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -82.98 119.42 24.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.94 0.4 . . . . 0.0 110.897 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.414 177.276 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.62 ' HA ' ' NE ' ' A' ' 71' ' ' ARG . 4.7 mmp_? . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 121.025 0.44 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.595 ' HB3' ' HZ2' ' A' ' 24' ' ' TRP . 46.8 t-80 -95.41 -15.47 22.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.255 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.79 HD11 ' HE2' ' A' ' 40' ' ' LYS . 5.7 mp -61.4 -73.73 0.09 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 -175.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -160.43 167.97 26.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -80.44 -27.68 37.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.856 0.36 . . . . 0.0 110.686 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.5 177.59 7.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 75.17 -48.91 0.64 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.554 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -86.99 134.06 33.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.752 0.311 . . . . 0.0 110.286 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.616 ' HB2' HD13 ' A' ' 56' ' ' LEU . 15.4 m -125.64 126.37 44.61 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.6 m -111.68 129.47 56.09 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.3 -172.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.5 t -111.4 128.91 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.842 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -91.8 115.71 28.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.941 0.4 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 3' ' ' ILE . 89.4 mt -81.31 77.85 8.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.556 0.693 . . . . 0.0 110.751 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -127.08 -29.7 2.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.827 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.44 -160.65 19.38 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.479 ' OG ' ' HA ' ' A' ' 65' ' ' SER . 23.2 t 72.03 -66.57 0.3 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.376 0.67 . . . . 0.0 111.443 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 65' ' ' SER . 2.8 mm? -95.83 124.14 53.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.542 0.211 . . . . 0.0 110.883 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.494 ' HD2' ' HG3' ' A' ' 91' ' ' GLN . 63.2 Cg_endo -75.72 -178.31 4.22 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.606 2.204 . . . . 0.0 112.363 174.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.589 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 8.9 p-10 -59.43 -36.26 75.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.266 -175.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -67.7 -38.31 83.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.81 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.494 ' HG3' ' HD2' ' A' ' 88' ' ' PRO . 15.9 mm100 -65.46 -31.94 73.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.369 -177.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.58 -44.97 94.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.635 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -63.71 -36.3 83.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -59.35 -42.18 90.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.072 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.09 -43.28 58.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.16 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.401 HG21 HD21 ' A' ' 6' ' ' LEU . 85.6 t -63.27 -47.64 91.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.378 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -65.63 -38.82 90.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.023 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.44 98.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t -67.45 -32.09 72.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.154 0.502 . . . . 0.0 110.116 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.418 ' O ' HG23 ' A' ' 104' ' ' VAL . 69.2 t80 -70.13 -41.79 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.428 176.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -60.7 -49.14 78.7 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.577 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' A' ' 103' ' ' ALA . 1.7 pt20 -63.03 -40.11 96.75 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.492 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -57.94 -45.51 86.49 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.312 -178.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 100' ' ' TYR . 98.8 t -63.81 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -77.09 -16.13 59.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.587 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 86.0 mt -93.49 -4.9 50.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.699 0.285 . . . . 0.0 111.022 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 84.2 mt -75.82 152.63 84.91 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.894 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.39 154.35 64.5 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.282 1.988 . . . . 0.0 110.633 171.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.31 -45.21 68.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.378 0.424 . . . . 0.0 111.818 -172.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 1.9 tm-20 -55.5 -47.25 76.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.618 ' HD3' ' HG3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -72.37 -42.89 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.599 . . . . 0.0 110.428 -178.642 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.8 tmm_? -60.34 -47.74 84.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.867 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 113' ' ' LYS . 66.9 mmtt -63.67 -31.28 72.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.924 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 54.2 mt -59.43 -48.93 79.74 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.745 0.307 . . . . 0.0 110.81 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 mt -69.99 -26.78 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.262 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.9 t -76.16 -38.44 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.218 0.532 . . . . 0.0 110.838 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -71.79 -27.74 63.15 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.003 -178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 90.9 mt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.078 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.573 ' HB3' ' HB2' ' A' ' 89' ' ' ASP . 5.6 tmm? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -122.56 171.95 8.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.639 -169.447 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' A' ' 6' ' ' LEU . 49.9 mm -53.13 -35.48 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 123.487 0.715 . . . . 0.0 112.659 -174.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 p -56.29 -39.92 73.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.102 0.477 . . . . 0.0 110.8 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.534 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 36.3 mt-10 -78.21 -31.47 49.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.359 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 1.5 mm? -61.03 -35.75 77.71 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.279 178.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.3 tm? -54.87 -50.52 68.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.46 . . . . 0.0 109.924 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -67.45 -36.96 82.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.747 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -64.68 -36.37 84.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.98 -33.37 73.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.037 0.446 . . . . 0.0 110.469 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.452 ' CE ' ' HG3' ' A' ' 18' ' ' GLN . 28.0 mmt -80.14 -1.34 39.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -2.65 58.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.201 0.524 . . . . 0.0 109.875 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.59 103.63 33.31 Favored Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.479 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.9 119.08 6.0 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.857 2.371 . . . . 0.0 112.839 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.402 ' HA3' HD22 ' A' ' 115' ' ' LEU . . . 116.52 -25.62 9.02 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.989 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.48 123.67 32.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.775 0.321 . . . . 0.0 110.331 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -115.15 124.36 51.3 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.499 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 4.2 pp0? -96.43 155.72 16.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.367 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -153.9 104.69 2.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.364 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.575 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.6 p -79.23 112.35 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.483 0.658 . . . . 0.0 110.127 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -86.94 125.69 34.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.773 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -79.67 16.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.507 0.67 . . . . 0.0 110.577 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.24 -55.61 11.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.731 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.419 ' HH2' ' HE3' ' A' ' 40' ' ' LYS . 8.0 p-90 -140.06 16.53 2.45 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.138 176.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 61.91 84.08 0.14 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.995 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.14 136.36 17.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.285 -1.325 . . . . 0.0 108.907 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 27.3 m -99.71 117.53 34.25 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.224 0.535 . . . . 0.0 110.828 -177.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -88.04 112.88 23.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.739 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.448 HG12 ' HB3' ' A' ' 18' ' ' GLN . 39.8 mt -107.42 108.37 25.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.0 0.428 . . . . 0.0 109.851 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -141.29 169.44 17.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.729 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 32' ' ' GLU . 1.9 t -86.79 -141.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 172.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' H ' HG12 ' A' ' 31' ' ' VAL . 39.7 mt-10 -67.21 -49.8 63.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.09 -0.381 . . . . 0.0 110.678 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -142.01 16.14 2.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.548 0.69 . . . . 0.0 110.436 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.3 t -113.22 108.95 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.836 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.0 tp -93.93 114.15 26.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.962 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -106.04 -32.14 8.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.52 155.18 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.066 0.46 . . . . 0.0 111.314 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' A' ' 38' ' ' MET . 14.0 ptp -138.79 119.74 14.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.329 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.503 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 14.9 p -87.14 137.19 21.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HE3' ' HH2' ' A' ' 24' ' ' TRP . 10.5 ptmt -153.92 136.37 15.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.847 0.356 . . . . 0.0 111.745 -166.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -93.03 110.48 21.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -126.19 135.89 62.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.864 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 60.53 25.04 14.69 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -169.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.9 t30 61.3 23.67 13.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.452 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HB2' ' HE1' ' A' ' 82' ' ' TYR . 19.9 mmt180 -114.09 134.67 22.14 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.77 177.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -70.02 121.19 7.83 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.238 1.959 . . . . 0.0 111.896 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.69 169.88 16.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.162 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.48 134.58 30.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.956 0.408 . . . . 0.0 110.57 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 79' ' ' SER . 50.2 m -106.32 120.11 41.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.107 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD22 ' HG ' ' A' ' 56' ' ' LEU . 5.9 mp -98.55 145.95 26.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.861 ' HE2' ' HA ' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -95.26 -17.94 21.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.917 0.389 . . . . 0.0 110.185 178.07 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.611 HG22 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -126.58 -160.15 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.252 -176.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.611 ' H ' HG22 ' A' ' 52' ' ' THR . 37.3 t 75.66 113.4 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.253 0 C-N-CA 123.879 0.871 . . . . 0.0 111.543 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.08 -21.59 13.76 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.892 2.395 . . . . 0.0 111.928 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -75.21 -36.15 61.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.484 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HG ' HD22 ' A' ' 50' ' ' LEU . 3.9 mm? -62.9 -35.92 81.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.873 0.368 . . . . 0.0 110.331 175.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.679 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -62.32 -39.6 93.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.508 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.49 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.98 -31.57 71.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.458 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.6 tp -72.89 -40.58 65.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.427 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.679 ' HG2' ' O ' ' A' ' 57' ' ' ALA . 31.9 mmt180 -73.8 -50.61 19.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.772 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.65 -55.32 5.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.187 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.518 ' O ' HG12 ' A' ' 67' ' ' VAL . 19.2 mm-40 -93.15 54.42 2.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.053 0.454 . . . . 0.0 110.655 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -77.21 44.33 0.41 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.242 -174.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 t -165.37 -39.27 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' A' ' 63' ' ' GLN . 27.1 t70 -65.35 -46.89 78.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.201 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 63' ' ' GLN . 11.1 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.902 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HD3' HH11 ' A' ' 71' ' ' ARG . 18.2 ttm180 . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -72.63 -19.59 61.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.267 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.9 mt -121.88 -177.42 3.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.854 0.359 . . . . 0.0 110.927 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 77' ' ' HIS . 9.6 m120 -72.31 102.42 3.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.647 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -67.74 -24.28 65.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.988 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.96 40.03 1.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.022 0.439 . . . . 0.0 110.722 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 74' ' ' ASN . 1.3 t-80 -152.12 -38.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -108.13 170.23 8.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.782 168.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' SER . 16.2 m -125.32 126.29 44.84 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.4 m -128.19 130.06 47.44 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.841 -175.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.1 122.01 68.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.98 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.504 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . 7.7 m-85 -77.35 118.94 20.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.295 0.569 . . . . 0.0 110.58 177.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.4 mt -97.78 30.78 2.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.689 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.504 ' OD1' ' HB3' ' A' ' 82' ' ' TYR . 5.6 p-10 -76.38 0.18 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.214 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.38 -15.04 3.69 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.227 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.0 t -63.84 -55.27 24.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.906 0.384 . . . . 0.0 110.306 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 4.0 mm? -96.65 141.36 22.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.034 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 10.9 Cg_exo -71.11 161.3 46.42 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.988 2.458 . . . . 0.0 112.44 -178.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 4.5 p30 -64.85 -24.69 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.237 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 p -64.92 -28.44 69.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.097 0.475 . . . . 0.0 110.911 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -73.18 -32.32 64.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.707 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.9 mt -61.61 -35.9 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -54.14 -48.86 70.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.1 0.476 . . . . 0.0 110.867 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.68 -43.52 97.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.848 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.23 -41.34 98.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.472 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -77.46 -51.9 17.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.801 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.42 -42.95 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.143 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -62.79 -41.99 99.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.612 0.244 . . . . 0.0 111.485 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.54 ' HA ' HE21 ' A' ' 102' ' ' GLN . 50.7 m -62.91 -41.36 99.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 110.909 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.483 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.8 t80 -62.76 -48.07 80.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.735 178.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -57.42 -44.46 84.63 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.177 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.54 HE21 ' HA ' ' A' ' 99' ' ' SER . 48.0 mt-30 -57.38 -44.61 84.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.025 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.507 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.64 -39.92 94.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.416 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 100' ' ' TYR . 91.0 t -63.37 -42.98 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.182 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -69.82 -18.67 63.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.382 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 95.4 mt -90.57 -8.56 49.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.98 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 87.3 mt -84.92 155.54 61.17 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.913 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.84 160.24 26.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.987 2.458 . . . . 0.0 112.312 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.2 mm-40 -54.31 -48.29 71.48 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.967 -176.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' A' ' 110' ' ' GLU . 4.8 mp0 -53.05 -50.14 64.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.152 0.501 . . . . 0.0 111.044 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -67.47 -40.17 85.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.131 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -60.32 -35.97 76.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.59 -176.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 71.5 mmtt -58.94 -47.82 83.69 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.197 0.523 . . . . 0.0 110.976 -177.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.28 -44.77 95.06 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.849 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.402 HD22 ' HA3' ' A' ' 15' ' ' GLY . 44.2 mt -64.69 -31.75 73.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.341 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 112' ' ' ARG . 86.5 t -78.23 -32.29 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.938 0.399 . . . . 0.0 110.975 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -74.98 -28.31 60.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.243 -176.418 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.424 ' HE2' ' HB2' ' A' ' 89' ' ' ASP . 20.9 ptp . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.7 0.286 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -117.37 -179.21 3.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.4 mm -64.47 -31.03 51.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.2 -173.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -63.05 -47.66 82.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.544 0.212 . . . . 0.0 110.924 -175.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.07 -41.93 99.54 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.249 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.64 -41.53 86.22 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.628 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.99 -45.47 92.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.995 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -58.78 -39.39 80.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.03 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -61.81 -45.04 95.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.649 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.0 m -61.92 -36.35 81.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.284 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 30.9 mmt -70.23 -18.05 63.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 111.12 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.16 59.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.219 0.533 . . . . 0.0 110.482 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 72.8 mmtt -94.64 117.04 66.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 24.3 Cg_exo -61.93 113.47 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.683 2.255 . . . . 0.0 111.968 -177.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 112.06 -18.3 23.91 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 176.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.97 113.97 12.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.703 0.287 . . . . 0.0 110.47 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -113.9 154.71 27.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.303 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.3 140.2 29.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.118 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.1 m -147.57 109.39 4.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.714 0.292 . . . . 0.0 110.944 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -95.86 124.14 48.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.268 0.556 . . . . 0.0 110.12 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -101.25 121.74 42.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.019 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -70.84 96.35 1.25 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.942 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 175.12 -71.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -80.8 -22.4 40.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.445 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.4 tttt 67.04 19.18 10.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.84 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 169.69 11.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.9 m -110.32 117.87 34.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.129 0.49 . . . . 0.0 110.324 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -92.06 131.73 37.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.068 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.9 mt -104.13 110.11 29.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.57 162.22 33.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.39 -175.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -94.57 -134.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.411 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 21.5 mm-40 -56.34 -66.38 0.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.075 0.464 . . . . 0.0 111.338 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -135.77 8.61 3.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.672 0.749 . . . . 0.0 109.597 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.14 103.71 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.109 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.8 tp -84.07 128.43 34.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 37.0 p90 -119.8 -34.44 3.75 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.351 -0.54 . . . . 0.0 112.387 -177.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.33 158.64 43.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.766 0.317 . . . . 0.0 111.097 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.2 ptp -147.02 130.32 16.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.382 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.18 121.91 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.98 117.92 14.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.626 -173.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -78.56 124.46 28.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.786 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.91 136.82 19.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 66.04 31.49 8.96 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 67.0 31.13 7.14 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.543 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -144.54 110.26 4.9 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.775 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.598 ' HA ' ' HA ' ' A' ' 41' ' ' GLU . 14.7 Cg_exo -68.52 114.92 3.65 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.733 2.289 . . . . 0.0 111.473 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.83 155.11 45.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.441 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.97 134.5 59.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.124 0.487 . . . . 0.0 110.458 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 79' ' ' SER . 18.3 m -103.0 122.64 45.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.746 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 50' ' ' LEU . 6.2 mp -110.04 178.95 4.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.387 177.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 36' ' ' PHE . 99.6 mttt -91.6 176.85 6.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.883 0.373 . . . . 0.0 110.595 177.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -72.82 89.55 1.38 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.182 173.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.788 ' HB2' HD23 ' A' ' 56' ' ' LEU . 11.8 m -113.45 165.06 14.16 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.3 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 53' ' ' SER . 40.3 Cg_exo -36.06 -67.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.743 2.962 . . . . 0.0 114.389 -176.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -67.04 -34.65 78.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 53' ' ' SER . 3.6 mm? -68.57 -41.36 79.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.902 0.382 . . . . 0.0 110.935 -177.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.46 -47.54 72.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.009 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -60.05 -38.66 83.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.167 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.612 HD12 ' HG3' ' A' ' 63' ' ' GLN . 45.7 tp -52.42 -50.96 61.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.663 175.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.03 -30.05 68.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.052 0.453 . . . . 0.0 111.054 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -73.26 -44.11 59.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.603 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.95 -50.63 4.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.612 ' HG3' HD12 ' A' ' 59' ' ' LEU . 15.1 mm100 -74.69 97.76 3.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 0.0 111.037 -174.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -85.45 -20.84 29.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.643 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.7 m -104.86 -177.6 3.41 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.394 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.51 -71.9 0.11 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.53 0.519 . . . . 0.0 112.175 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 121.737 0.78 . . . . 0.0 111.408 -175.328 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HB3' ' HD2' ' A' ' 75' ' ' LYS . 23.4 tpt180 . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -83.94 -15.69 46.96 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.1 mt -89.59 -158.33 0.51 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.313 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -50.2 113.8 0.95 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HD2' ' HB3' ' A' ' 71' ' ' ARG . 7.3 mmmm -75.06 -51.86 12.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.749 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.52 66.11 9.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.043 0.449 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -176.3 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.129 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -120.63 136.84 54.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.365 176.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' SER . 17.5 m -125.2 126.41 45.18 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.446 0.641 . . . . 0.0 110.132 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.1 m -94.26 114.63 26.76 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.507 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.447 HG11 HD12 ' A' ' 87' ' ' LEU . 59.1 t -87.48 116.1 29.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.199 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.88 118.38 14.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.891 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.4 mt -86.98 12.64 10.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.434 0.635 . . . . 0.0 109.953 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -83.96 72.18 10.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.054 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.38 38.51 95.03 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.462 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 t -109.52 -81.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.79 0.295 . . . . 0.0 110.667 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.447 HD12 HG11 ' A' ' 81' ' ' VAL . 74.8 mt -87.19 144.12 35.7 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 120.699 0.285 . . . . 0.0 110.783 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.95 166.26 29.63 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.775 2.317 . . . . 0.0 112.582 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.424 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 11.5 p-10 -67.25 -26.53 66.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.885 -178.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 p -68.84 -29.25 67.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.026 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.416 ' HG2' HD13 ' A' ' 87' ' ' LEU . 7.0 tp60 -70.51 -32.04 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.303 -178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 96' ' ' VAL . 49.8 mm -56.2 -41.82 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.203 -177.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -57.5 -42.81 83.49 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -71.53 -40.01 70.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.726 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.71 -43.96 97.84 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.352 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 92' ' ' ILE . 93.0 t -62.84 -52.38 60.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.035 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.54 -37.01 85.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.487 -177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.51 91.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.864 0.364 . . . . 0.0 111.093 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -76.07 -34.35 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.778 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.474 ' O ' HG23 ' A' ' 104' ' ' VAL . 54.4 t80 -73.14 -42.51 62.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.024 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -59.23 -50.29 74.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.79 0.328 . . . . 0.0 111.275 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 11.8 pt20 -59.7 -32.52 70.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.38 -42.41 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.626 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' ' 107' ' ' LEU . 84.5 t -62.43 -35.49 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.051 0.453 . . . . 0.0 110.681 178.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.77 -17.12 63.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.914 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 87.7 mt -97.54 -4.34 38.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.916 0.389 . . . . 0.0 110.555 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 104' ' ' VAL . 94.4 mt -84.6 151.43 58.6 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.629 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.33 169.74 17.67 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.904 2.402 . . . . 0.0 112.78 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -49.13 69.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.421 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -52.14 -53.25 45.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.716 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 13.9 mptt -63.08 -43.34 98.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.831 -173.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 112' ' ' ARG . 18.1 mtm180 -62.94 -41.69 99.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -69.48 -32.16 70.89 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.739 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.77 -40.88 79.49 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 79.3 mt -59.98 -34.66 73.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 112' ' ' ARG . 52.6 t -70.2 -29.25 38.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.294 0.569 . . . . 0.0 110.854 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -76.45 -28.85 56.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.119 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.109 -175.029 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.99 148.58 27.54 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 46' ' ' PRO . 41.0 mm -63.16 -29.97 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.411 -176.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -58.36 -38.51 77.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.788 0.328 . . . . 0.0 110.706 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.88 -41.33 82.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.207 0.527 . . . . 0.0 110.278 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.46 -42.17 99.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.681 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 88.9 mt -64.44 -40.11 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.05 -39.65 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.942 0.401 . . . . 0.0 109.925 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -64.7 -35.66 81.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.935 177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.9 m -73.04 -27.02 61.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 110.846 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 1.6 mmt -71.36 -11.73 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.839 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.7 -1.02 57.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.526 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -96.3 115.74 65.77 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.03 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.94 131.82 26.54 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.912 2.408 . . . . 0.0 112.251 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.82 -0.15 89.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.561 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.07 125.34 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.007 0.432 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -106.65 124.24 49.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.723 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.13 120.47 37.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.159 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 m -125.74 104.36 8.31 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.397 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.609 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 5.5 p -79.92 123.12 36.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.127 0.489 . . . . 0.0 109.754 175.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -98.81 137.49 37.31 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -70.95 -169.36 0.35 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 73.07 -66.28 0.32 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.577 0.751 . . . . 0.0 109.937 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -94.95 -16.29 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.5 mttt 59.52 26.49 15.48 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.546 0.689 . . . . 0.0 110.587 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.57 127.08 32.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.073 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.609 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 16.6 m -89.8 117.37 28.59 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.893 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -95.44 128.65 42.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.598 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 mt -103.84 113.12 39.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CE ' ' HA ' ' A' ' 33' ' ' ASP . 22.3 ptmt -131.52 163.82 27.17 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.443 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -90.28 -134.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -48.01 -63.1 1.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.164 0.507 . . . . 0.0 109.958 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.414 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.7 t70 -145.9 8.75 1.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.712 0.768 . . . . 0.0 109.46 170.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.6 t -85.74 105.99 14.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.424 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 tp -86.81 127.25 35.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.831 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -118.85 -32.43 4.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.009 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.67 162.77 39.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.728 0.299 . . . . 0.0 110.854 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -156.21 146.57 21.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.479 HG21 HD12 ' A' ' 3' ' ' ILE . 7.5 p -105.0 127.76 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.083 0.468 . . . . 0.0 110.422 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -121.04 123.35 42.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.86 111.89 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -146.02 128.61 9.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.085 -177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.9 OUTLIER 63.39 31.35 15.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.699 178.734 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 8.1 t30 78.48 -2.69 2.35 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.981 0.8 . . . . 0.0 110.865 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -100.0 111.16 61.57 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.674 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' HB2' HD11 ' A' ' 3' ' ' ILE . 58.1 Cg_endo -83.7 107.39 1.36 Allowed 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.379 2.053 . . . . 0.0 110.537 172.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 82' ' ' TYR . . . -124.34 163.02 22.58 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.358 -173.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.49 132.24 66.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.099 0.476 . . . . 0.0 110.856 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 20.4 m -97.75 129.29 44.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.119 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.37 163.36 12.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.991 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' HG2' ' H ' ' A' ' 52' ' ' THR . 60.8 tttt -92.4 -144.95 0.21 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.985 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.478 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 17.4 p -76.61 73.24 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.282 0.563 . . . . 0.0 109.785 174.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.466 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 15.2 m -109.79 140.31 22.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.599 -173.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 22.4 Cg_exo -65.85 -22.17 56.73 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.104 2.536 . . . . 0.0 111.989 176.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 94' ' ' TYR . 9.6 mp0 -54.31 -41.57 69.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.12 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.82 -32.59 73.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.979 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.21 -35.13 63.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.934 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -62.55 -46.21 89.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.347 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.3 mt -52.31 -47.87 65.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.117 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 60' ' ' LEU . 6.7 tt -55.3 -36.99 66.78 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.644 0.59 . . . . 0.0 111.761 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -75.41 -25.59 57.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.385 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.25 -59.95 1.73 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.141 -175.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -116.22 -173.26 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 65' ' ' SER . 47.8 m80 -140.68 177.95 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 71.3 m 69.8 14.24 8.04 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.481 0.657 . . . . 0.0 109.994 -173.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.441 ' OD2' HG23 ' A' ' 67' ' ' VAL . 12.3 p-10 -97.48 178.42 5.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.546 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.441 HG23 ' OD2' ' A' ' 66' ' ' ASP . 53.6 t . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 121.491 0.662 . . . . 0.0 111.203 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -70.45 -28.0 64.68 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 171.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.3 mt -86.64 -78.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.709 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -166.98 113.01 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -51.21 -62.3 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.786 0.679 . . . . 0.0 112.59 -168.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.1 78.46 1.52 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.166 0.508 . . . . 0.0 111.058 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -170.97 -44.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.333 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -124.35 127.16 47.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.627 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.2 t -127.16 136.46 52.11 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.572 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 9.4 m -107.93 128.93 55.07 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.988 0.423 . . . . 0.0 111.5 -173.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.69 103.84 15.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.539 ' CE1' ' HB ' ' A' ' 80' ' ' THR . 78.7 m-85 -85.6 128.43 34.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.743 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.15 34.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.31 0.576 . . . . 0.0 110.615 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 82' ' ' TYR . 36.8 t70 -85.48 -14.12 47.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.091 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.22 -147.99 11.75 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.645 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.9 m -85.33 85.83 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.851 0.357 . . . . 0.0 111.153 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.07 112.8 31.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.429 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -74.09 161.09 41.66 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.771 2.314 . . . . 0.0 112.248 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.68 -39.57 84.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.053 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.6 m -62.55 -28.81 70.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.409 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -70.12 -33.08 71.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.033 0.444 . . . . 0.0 110.697 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.56 -38.44 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.782 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -59.85 -49.49 77.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 55' ' ' GLU . 77.0 t80 -64.28 -44.48 91.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.067 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.9 mt -56.45 -42.59 78.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.86 0.362 . . . . 0.0 111.263 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.37 -52.86 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.479 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -70.27 -34.66 73.06 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -60.05 -35.69 75.69 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.058 0.456 . . . . 0.0 110.397 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.432 ' HA ' ' NE2' ' A' ' 102' ' ' GLN . 17.9 m -70.74 -30.26 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.25 176.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 104' ' ' VAL . 52.9 t80 -66.79 -45.18 79.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.337 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.43 -34.78 67.14 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.569 0.223 . . . . 0.0 111.187 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 72.7 mt-30 -60.79 -46.39 90.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.9 -40.8 75.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.087 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 100' ' ' TYR . 74.9 t -58.19 -45.62 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.302 -176.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.02 -16.61 59.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.85 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.0 mt -93.16 -4.86 51.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.19 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 84.6 mt -69.65 139.59 88.91 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 0.0 111.064 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.512 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 17.1 Cg_exo -68.97 -179.32 2.48 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 123.326 2.684 . . . . 0.0 113.169 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -45.46 -64.2 0.78 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.804 -1.089 . . . . 0.0 112.289 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -49.31 -52.99 24.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.092 -175.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.512 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 3.4 mptp? -63.09 -48.7 77.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.911 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.2 mmt180 -56.62 -44.41 81.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.936 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.808 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 8.1 mmpt? -53.8 -44.99 70.62 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 111.647 -177.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -36.36 82.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 -177.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 80.1 mt -77.7 -26.68 50.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.774 -175.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.1 t -80.54 -37.75 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.759 0.314 . . . . 0.0 111.232 -177.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -72.93 -28.53 62.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.795 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.753 -0.641 . . . . 0.0 110.457 179.079 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.8 p -99.96 155.83 17.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.083 0.468 . . . . 0.0 111.618 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.574 HD13 ' HB ' ' A' ' 39' ' ' VAL . 65.2 mt -64.38 -33.02 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.999 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.5 t -54.38 -41.77 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.885 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.71 -41.85 68.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.453 0.644 . . . . 0.0 109.875 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.2 -36.46 83.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.789 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 47.0 mt -54.47 -41.99 70.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.121 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -72.31 -33.07 67.1 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.533 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.65 -32.22 73.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.447 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.0 m -59.92 -35.11 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.855 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 94.1 mmm -76.87 -10.94 59.71 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.737 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.99 -6.55 57.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 9.1 mmpt? -96.68 108.08 40.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 176.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.478 ' O ' HD22 ' A' ' 115' ' ' LEU . 24.3 Cg_endo -62.0 107.79 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.632 2.221 . . . . 0.0 112.537 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 -3.43 18.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.657 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.54 117.37 31.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.752 0.31 . . . . 0.0 111.04 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -106.0 146.53 29.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.311 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -89.95 119.87 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.578 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -112.31 107.65 16.57 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.009 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.44 145.84 8.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.076 0.465 . . . . 0.0 111.143 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.56 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 11.3 m80 -126.73 162.49 25.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.319 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -82.23 -174.74 5.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.125 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.2 t70 77.96 -62.58 0.36 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.077 0.951 . . . . 0.0 111.781 177.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.56 ' HD1' ' H ' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -122.99 4.22 9.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.702 0.287 . . . . 0.0 111.342 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 42.9 tttp 57.58 38.03 27.73 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.58 172.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' HB1' ' HG3' ' A' ' 40' ' ' LYS . . . -68.09 140.64 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.617 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -111.04 118.45 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.111 0.481 . . . . 0.0 110.693 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 38' ' ' MET . 49.7 mt-30 -100.94 133.46 45.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.182 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.2 mt -104.72 108.83 25.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HD2' ' O ' ' A' ' 31' ' ' VAL . 3.9 pptp? -143.8 154.8 43.79 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.742 -175.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.586 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 2.2 t -81.95 -131.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.194 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -48.64 -67.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.098 0.475 . . . . 0.0 110.028 171.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.75 9.26 1.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.968 0.889 . . . . 0.0 109.102 170.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.85 97.69 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.496 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.8 tp -85.89 111.16 19.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.726 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.404 ' HD1' ' HB3' ' A' ' 99' ' ' SER . 35.1 p90 -109.2 -12.84 14.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.657 -176.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.37 149.98 2.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.496 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.416 ' HB2' ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -146.56 136.85 23.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.043 0.449 . . . . 0.0 110.381 174.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.574 ' HB ' HD13 ' A' ' 3' ' ' ILE . 15.7 m -105.91 138.4 31.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.898 -176.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HD3' ' C ' ' A' ' 39' ' ' VAL . 3.3 mppt? -134.36 123.55 24.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.708 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -79.07 110.76 14.61 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 169.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.454 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.5 p -127.82 121.57 56.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.794 -178.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HG3' HG22 ' A' ' 42' ' ' VAL . 31.1 mt-10 62.17 22.66 13.3 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.752 -177.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t30 66.23 21.07 11.09 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.272 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -115.21 119.87 37.76 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.86 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HB3' HG13 ' A' ' 3' ' ' ILE . 21.5 Cg_endo -61.48 117.9 4.74 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.96 2.44 . . . . 0.0 113.012 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.45 130.67 46.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.0 110.944 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -123.7 158.11 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.015 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 79' ' ' SER . 20.3 m -131.45 129.59 41.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 95' ' ' LEU . 6.8 mp -122.43 -83.64 0.66 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.23 0.331 . . . . 0.0 111.557 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.839 ' HD3' ' H ' ' A' ' 52' ' ' THR . 6.5 tmtt? 68.57 174.84 0.28 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.697 0.623 . . . . 0.0 109.408 -174.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.839 ' H ' ' HD3' ' A' ' 51' ' ' LYS . 4.0 m 61.72 26.7 16.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.8 0.81 . . . . 0.0 111.323 175.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 2.5 p -138.21 130.93 16.31 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.328 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 73.7 Cg_exo -51.87 -55.32 4.02 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.388 2.725 . . . . 0.0 113.882 -173.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.87 -41.47 99.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.131 -176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.77 -38.78 87.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.844 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.59 84.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.211 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -72.97 -44.56 60.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.043 0.449 . . . . 0.0 110.392 176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.443 ' HG ' HG11 ' A' ' 67' ' ' VAL . 38.9 tp -52.72 -46.21 67.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.278 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HA ' HG13 ' A' ' 67' ' ' VAL . 4.6 pp -71.99 -28.62 63.52 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.967 0.413 . . . . 0.0 111.182 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.177 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.66 -54.05 4.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.399 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.558 HE21 HG12 ' A' ' 67' ' ' VAL . 24.4 mt-30 -82.39 128.12 33.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.704 0.287 . . . . 0.0 110.73 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -122.69 -7.28 8.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.099 0.476 . . . . 0.0 110.046 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -94.21 -34.2 12.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.553 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.63 -87.42 0.26 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.291 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.558 HG12 HE21 ' A' ' 63' ' ' GLN . 3.8 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.994 0.426 . . . . 0.0 109.905 175.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.658 ' HD2' ' O ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 121.466 0.65 . . . . 0.0 111.232 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -75.87 -16.93 59.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.871 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.42 HD21 ' CH2' ' A' ' 24' ' ' TRP . 76.4 mt -136.74 -60.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.095 176.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -147.12 168.96 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -85.19 -52.64 5.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.881 0.372 . . . . 0.0 111.307 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.28 99.97 4.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 111.278 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -175.98 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -119.05 -179.08 3.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.933 173.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 49' ' ' SER . 19.5 m -132.42 131.21 41.54 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.0 m -91.37 113.86 26.24 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.906 0.384 . . . . 0.0 110.809 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 t -109.65 118.99 58.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.453 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -89.64 115.09 26.76 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.927 0.394 . . . . 0.0 110.653 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . 47.1 mt -67.22 -26.87 66.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.911 0.862 . . . . 0.0 108.787 176.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.78 68.49 9.93 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.502 169.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.95 -140.74 2.95 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.617 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.7 t -87.06 -15.73 37.7 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 87' ' ' LEU . 3.6 mm? -76.45 126.3 86.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.598 0.237 . . . . 0.0 111.627 -176.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.17 160.56 26.47 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.966 2.444 . . . . 0.0 112.364 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.24 -50.59 49.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.037 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -56.07 -42.68 77.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.927 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.58 HE22 HD21 ' A' ' 95' ' ' LEU . 20.4 tm0? -69.47 -37.25 77.22 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.515 HD13 HD22 ' A' ' 83' ' ' LEU . 79.5 mt -63.28 -41.06 91.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.042 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -62.44 -37.16 84.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.042 0.449 . . . . 0.0 110.179 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -64.37 -42.01 96.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.582 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.66 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.5 mt -58.18 -55.29 36.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.792 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.69 -45.64 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.056 0.455 . . . . 0.0 111.237 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.67 -31.5 70.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.12 82.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.783 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.567 ' HA ' HE21 ' A' ' 102' ' ' GLN . 66.4 m -62.7 -34.69 77.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.062 0.458 . . . . 0.0 110.648 176.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' O ' HG23 ' A' ' 104' ' ' VAL . 44.2 t80 -69.41 -45.89 68.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.21 175.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -41.42 94.49 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.032 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.567 HE21 ' HA ' ' A' ' 99' ' ' SER . 11.0 pt20 -64.97 -31.63 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.768 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -72.97 -29.67 63.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.811 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 100' ' ' TYR . 88.5 t -62.94 -38.77 82.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.829 -177.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -76.97 -17.12 59.09 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.852 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.6 mt -81.57 -32.48 32.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 98.7 mt -74.03 140.42 77.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.56 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 5.6 Cg_exo -80.9 -176.97 3.42 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.886 2.391 . . . . 0.0 113.219 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -47.14 -51.35 18.37 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.298 177.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -48.65 -52.65 22.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.936 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.63 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 14.0 mptt -69.17 -42.58 75.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.263 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 116' ' ' VAL . 14.0 mtp180 -61.35 -37.18 82.39 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.123 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.711 ' HA ' ' HE3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -58.16 -32.37 68.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.155 0.503 . . . . 0.0 110.823 179.118 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 93.3 mt -81.91 -46.58 13.87 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.985 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 62.9 mt -57.49 -32.64 67.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.188 -175.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 112' ' ' ARG . 88.6 t -68.52 -41.36 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.014 0.435 . . . . 0.0 110.659 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -77.23 -29.18 53.98 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.203 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 87.0 mt . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.732 -0.651 . . . . 0.0 111.674 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 ttm . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.1 -0.334 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.9 p -100.39 169.86 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.867 0.365 . . . . 0.0 111.187 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.54 HD11 ' HB3' ' A' ' 46' ' ' PRO . 46.4 mm -68.9 -24.57 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.316 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -59.84 -43.67 94.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.345 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -59.97 -45.66 91.96 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.28 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.6 -49.69 70.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.206 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.8 tm? -55.96 -49.34 73.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.66 -177.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.94 -43.04 99.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.943 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -68.47 -32.47 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.851 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.5 m -67.84 -34.42 76.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.633 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.3 mtp -75.61 -13.32 60.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 110.556 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.34 1.1 52.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.487 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -93.47 109.36 40.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.91 112.59 1.33 Allowed 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.583 2.189 . . . . 0.0 112.387 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.03 -13.26 24.19 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.18 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.09 128.22 45.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.095 0.474 . . . . 0.0 110.521 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -124.94 147.66 48.76 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -110.6 152.13 26.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.243 0.544 . . . . 0.0 110.958 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -138.59 103.79 4.95 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.441 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 3.5 p -97.74 123.86 50.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.317 0.579 . . . . 0.0 110.633 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -107.73 97.04 6.81 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -66.39 133.5 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.173 0.511 . . . . 0.0 111.557 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 173.12 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -144.53 32.76 1.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.288 172.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HD3' ' HB3' ' A' ' 41' ' ' GLU . 9.5 mptt 58.53 40.79 23.44 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.213 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.903 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . . . -76.01 97.57 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.659 177.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 9.4 m -109.35 118.31 36.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.528 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.424 ' HB3' HD13 ' A' ' 35' ' ' LEU . 91.5 mt-30 -99.83 113.28 25.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.379 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.1 mt -98.66 114.82 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 33' ' ' ASP . 60.8 pttt -148.92 169.16 21.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.242 0.544 . . . . 0.0 111.908 -171.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.12 -131.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -38.79 -66.06 0.31 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.539 0.685 . . . . 0.0 110.087 172.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.522 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 25.6 t70 -154.06 19.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.276 169.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 t -80.98 94.76 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.959 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.534 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 56.5 tp -79.25 101.73 8.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -96.59 -27.77 14.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.166 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.37 132.1 14.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.964 0.411 . . . . 0.0 110.73 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.625 ' HG3' ' HB2' ' A' ' 49' ' ' SER . 6.0 ptt? -133.18 122.01 23.39 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.492 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 14.4 p -102.71 140.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.986 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.903 ' HG3' ' HA ' ' A' ' 26' ' ' ALA . 3.7 mppt? -138.82 161.34 37.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.954 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 25' ' ' LYS . 2.1 tm-20 -125.37 113.73 17.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 175.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.99 107.82 20.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.25 0.547 . . . . 0.0 111.185 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 60.03 47.05 10.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.133 173.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 79.12 2.49 2.38 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.684 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -108.2 107.81 60.57 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.936 0.398 . . . . 0.0 111.268 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.54 ' HB3' HD11 ' A' ' 3' ' ' ILE . 8.1 Cg_exo -72.78 122.08 7.89 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.938 2.426 . . . . 0.0 111.082 174.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.55 128.72 41.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.06 130.25 71.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.087 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.625 ' HB2' ' HG3' ' A' ' 38' ' ' MET . 19.2 m -104.53 116.85 32.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.78 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 95' ' ' LEU . 5.1 mp -101.44 164.69 11.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.417 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' A' ' 35' ' ' LEU . 56.1 mttm -81.45 155.22 25.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 169.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.1 m -55.6 113.7 1.56 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.044 0.45 . . . . 0.0 110.805 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.76 ' HB2' HD23 ' A' ' 56' ' ' LEU . 23.0 m -121.5 149.61 52.91 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.929 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -52.15 -47.64 25.72 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.908 2.405 . . . . 0.0 112.414 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 41.5 mt-10 -70.48 -34.99 73.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.37 -177.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.76 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -67.7 -40.16 84.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.021 0.438 . . . . 0.0 110.275 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.5 -34.38 70.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.467 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -56.81 -53.61 55.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.146 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 99.5 mt -55.84 -51.54 67.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.46 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.1 tp -66.52 -31.05 71.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 111.601 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -71.78 -38.28 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.881 0.372 . . . . 0.0 110.797 -176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.46 -45.0 7.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.684 -176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -94.11 121.28 35.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -96.05 124.9 40.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.531 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 t 68.26 -170.7 0.19 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.492 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 71.79 -39.63 0.45 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.236 1.015 . . . . 0.0 111.945 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 171.841 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.719 0.295 . . . . 0.0 111.794 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -83.25 -23.36 32.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.71 62.98 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.776 0.322 . . . . 0.0 110.844 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 65.3 155.16 0.08 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.82 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -86.78 -24.99 24.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.088 -0.383 . . . . 0.0 111.319 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.94 172.17 10.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.129 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.8 m170 70.88 -53.15 0.67 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.372 0.669 . . . . 0.0 110.457 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -96.13 141.54 29.38 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 49' ' ' SER . 11.0 m -125.67 124.44 41.13 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.8 m -113.92 113.82 25.38 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.555 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.7 t -92.09 114.42 29.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.141 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -88.54 106.13 18.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.586 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 68.3 mt -59.23 -55.7 31.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.943 -176.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.0 t0 59.68 12.99 3.17 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.572 175.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.75 9.44 86.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.807 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -123.42 24.69 8.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.442 . . . . 0.0 110.847 -177.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -112.2 121.2 39.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -179.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 87' ' ' LEU . 2.4 Cg_endo -47.07 129.91 15.75 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.491 2.794 . . . . 0.0 113.148 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -53.43 -46.77 69.94 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.552 -173.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.5 m -72.65 -28.52 62.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.769 0.319 . . . . 0.0 111.542 -173.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.565 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.2 mm-40 -70.24 -31.83 69.41 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.726 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.2 -48.56 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -65.25 -38.91 91.81 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.076 0.465 . . . . 0.0 110.486 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -60.51 -40.39 91.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.937 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.671 ' HB3' HD21 ' A' ' 50' ' ' LEU . 81.0 mt -64.06 -38.77 92.27 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.73 -53.78 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.717 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.98 -34.39 77.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.513 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.62 -38.81 85.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.934 0.397 . . . . 0.0 110.76 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.4 m -77.36 -39.37 47.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.432 ' O ' HG23 ' A' ' 104' ' ' VAL . 51.2 t80 -65.95 -47.62 74.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.274 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -58.46 -50.16 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -62.52 -32.65 73.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.142 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.4 -37.98 77.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.781 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 100' ' ' TYR . 99.2 t -64.94 -36.56 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.46 -16.83 63.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.263 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.07 -4.75 42.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.76 0.314 . . . . 0.0 111.193 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 97.0 mt -84.54 146.39 46.98 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.675 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -72.5 168.16 25.09 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.952 2.435 . . . . 0.0 113.001 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.688 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.1 tp10 -45.27 -58.39 3.32 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.802 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -48.11 -49.17 32.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.386 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -70.97 -42.42 69.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.25 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 116' ' ' VAL . 55.5 mtp180 -65.35 -26.26 67.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.813 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.801 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 7.4 mmpt? -55.75 -41.47 74.0 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-O 120.976 0.417 . . . . 0.0 110.967 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.75 -45.07 72.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.534 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.08 -31.7 71.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.885 -175.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 112' ' ' ARG . 75.5 t -80.75 -34.7 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -74.3 -28.74 61.32 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.471 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.61 179.743 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.468 ' HE2' ' HB2' ' A' ' 89' ' ' ASP . 58.4 ttp . . . . . 0 N--CA 1.481 1.125 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -113.21 -177.66 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.179 0.514 . . . . 0.0 111.116 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.566 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 47.4 mm -68.74 -24.03 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.332 177.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 m -57.6 -34.59 69.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.321 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.1 -36.52 64.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.299 0.571 . . . . 0.0 110.195 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.12 -31.74 64.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.11 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 89.0 mt -55.28 -45.44 76.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.233 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -69.8 -34.36 73.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.59 -31.83 70.22 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.266 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.6 m -66.98 -19.04 65.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.546 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 mmt -78.89 -11.83 60.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.168 0.508 . . . . 0.0 109.832 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.9 -2.12 53.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.54 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -98.61 106.07 34.29 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.213 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.485 ' O ' HD22 ' A' ' 115' ' ' LEU . 19.2 Cg_endo -57.94 117.51 4.23 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.765 2.31 . . . . 0.0 113.064 -175.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 115.54 -21.96 12.33 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.05 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.39 120.02 25.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.818 0.342 . . . . 0.0 111.457 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 151.97 36.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.548 ' HG2' HG12 ' A' ' 29' ' ' ILE . 65.5 mt-30 -122.33 132.29 54.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.361 . . . . 0.0 111.402 -174.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.7 m -142.15 128.47 19.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.669 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 3.9 p -91.83 130.36 41.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.458 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 11.4 t60 -116.04 162.42 17.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -175.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -58.14 -25.84 61.93 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.458 ' OD2' ' HD2' ' A' ' 21' ' ' HIS . 16.5 m-20 -66.75 100.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.53 0.205 . . . . 0.0 110.817 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 13.1 m0 64.62 8.51 4.46 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.802 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 mttp 57.86 31.22 20.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.157 0.503 . . . . 0.0 110.418 -175.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.28 139.59 34.09 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.634 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 43.1 m -99.87 118.89 37.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.114 0.483 . . . . 0.0 109.894 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.23 135.72 37.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.646 -176.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.548 HG12 ' HG2' ' A' ' 18' ' ' GLN . 53.0 mt -108.93 113.87 45.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.72 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.84 168.51 19.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.399 -176.443 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.57 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 2.2 t -79.78 -133.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 33' ' ' ASP . 6.9 pt-20 -58.82 -63.85 1.15 Allowed 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.94 -0.475 . . . . 0.0 110.2 173.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.582 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 28.7 t70 -140.3 18.64 2.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.775 0.798 . . . . 0.0 109.887 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.3 t -98.61 101.07 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.822 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.72 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 7.8 tt -86.54 124.48 32.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.804 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -126.74 -21.25 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.692 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -139.37 150.89 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 111.083 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.623 ' HG2' ' HB3' ' A' ' 49' ' ' SER . 26.8 ptm -153.88 140.82 19.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.718 177.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.67 124.12 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.279 0.562 . . . . 0.0 110.587 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HD3' HG21 ' A' ' 80' ' ' THR . 9.6 ptmm? -129.85 135.29 48.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.422 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -99.89 130.62 46.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.041 0.448 . . . . 0.0 110.77 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -149.84 143.13 17.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 171.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 34.3 tt0 64.24 19.59 11.84 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -174.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 m120 65.1 18.65 11.55 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.362 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 mpt_? -112.95 133.64 21.95 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.379 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 2.8 Cg_exo -76.89 129.82 10.95 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.951 2.434 . . . . 0.0 112.119 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.515 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -122.7 142.43 50.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.831 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.04 133.58 64.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.056 0.455 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.623 ' HB3' ' HG2' ' A' ' 38' ' ' MET . 8.8 t -111.34 130.81 55.56 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.479 HD21 ' HB3' ' A' ' 95' ' ' LEU . 5.6 mp -105.33 35.28 2.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.806 -171.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HA ' ' CZ3' ' A' ' 78' ' ' TRP . 7.6 tmtt? 52.5 52.88 13.25 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.401 0.62 . . . . 0.0 109.89 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 m 73.7 -71.23 0.14 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.516 -177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.4 t 64.58 114.91 0.02 OUTLIER Pre-proline 0 C--O 1.234 0.287 0 O-C-N 123.832 0.707 . . . . 0.0 111.185 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.543 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 32.4 Cg_exo -60.26 -19.76 59.13 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.859 2.373 . . . . 0.0 112.299 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -77.18 -47.21 20.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.647 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.62 -35.17 70.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.155 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.33 85.96 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 54' ' ' PRO . 42.6 mm-40 -63.75 -50.9 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.1 tp -52.97 -44.23 67.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.864 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 64' ' ' HIS . 38.5 tp -65.41 -37.65 87.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.178 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -66.14 -49.1 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.984 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -62.56 -65.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.71 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -129.2 99.13 5.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.055 0.455 . . . . 0.0 111.158 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.462 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 12.9 p-80 -105.2 58.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.57 0.7 . . . . 0.0 110.875 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 32.4 m -128.36 149.2 50.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.864 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' A' ' 65' ' ' SER . 29.1 t70 73.54 -44.95 0.6 Allowed 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.712 0.632 . . . . 0.0 110.892 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 C--N 1.326 -0.453 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 173.509 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HB3' ' HA ' ' A' ' 75' ' ' LYS . 11.0 tpt180 . . . . . 0 N--CA 1.456 -0.157 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -73.01 -30.42 63.76 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.7 mt -57.08 -71.59 0.09 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.098 0.475 . . . . 0.0 109.945 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.597 HD22 ' HB2' ' A' ' 77' ' ' HIS . 49.7 t30 -151.67 111.14 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 171.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 5.0 tmmm? -61.1 -35.82 78.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.424 -176.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.47 22.53 4.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.597 ' HB2' HD22 ' A' ' 74' ' ' ASN . 10.5 t-160 -122.61 -60.09 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.732 0.301 . . . . 0.0 110.348 176.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.515 ' CZ3' ' HA ' ' A' ' 51' ' ' LYS . 59.7 m95 -98.56 153.62 18.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.905 0.383 . . . . 0.0 110.366 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -125.33 126.35 44.93 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.515 HG22 ' HB1' ' A' ' 47' ' ' ALA . 16.4 m -123.14 122.67 39.02 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.356 -175.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.0 t -103.29 130.16 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.427 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.487 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 44.5 m-85 -97.66 132.75 43.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.608 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.51 42.14 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.078 0.466 . . . . 0.0 110.9 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -88.02 70.12 9.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.271 0.558 . . . . 0.0 110.743 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.93 -35.24 1.44 Allowed Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.594 -0.73 . . . . 0.0 113.937 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.59 ' HB2' HD22 ' A' ' 87' ' ' LEU . 14.6 m -59.08 -38.27 79.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -174.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 86' ' ' SER . 3.1 mm? -100.73 118.31 60.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.608 0.242 . . . . 0.0 111.208 -173.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.75 159.17 52.57 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.906 2.404 . . . . 0.0 110.95 173.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.468 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 1.2 p-10 -64.1 -30.52 71.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.519 0.199 . . . . 0.0 110.836 -174.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.5 t -63.64 -39.48 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.941 0.401 . . . . 0.0 110.466 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.502 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.5 mm-40 -69.83 -32.84 71.46 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.44 -38.81 77.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.482 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -63.39 -47.42 82.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.378 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.08 -45.59 91.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.15 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 87.5 mt -55.63 -54.74 40.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.682 0.277 . . . . 0.0 111.223 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.8 -43.79 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 33.5 t70 -68.27 -35.15 77.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.955 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.627 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -58.19 -54.71 43.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.604 178.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 p -61.1 -30.9 70.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.127 0.489 . . . . 0.0 110.715 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.45 ' O ' HG23 ' A' ' 104' ' ' VAL . 87.6 t80 -67.04 -46.02 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.329 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 33.1 mm-40 -58.62 -44.46 89.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.526 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 69.0 mt-30 -59.46 -46.97 87.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.342 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.23 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.382 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 100' ' ' TYR . 98.6 t -61.18 -39.15 81.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.927 0.394 . . . . 0.0 111.002 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -68.4 -18.61 64.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.549 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 99.2 mt -88.14 -10.4 50.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.839 0.352 . . . . 0.0 110.946 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.26 148.37 49.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.613 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.29 170.45 15.97 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.734 2.289 . . . . 0.0 112.719 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 20.3 mm-40 -49.72 -45.06 48.72 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.77 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -48.4 -51.48 26.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.712 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 12.3 mptt -73.53 -47.53 40.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 116' ' ' VAL . 21.3 mtm180 -59.12 -38.71 80.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' A' ' 117' ' ' GLN . 32.6 mmtp -65.28 -46.76 79.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.82 0.343 . . . . 0.0 110.506 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.5 mt -63.66 -39.55 94.62 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.891 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 48.7 mt -62.54 -29.91 70.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.332 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 112' ' ' ARG . 61.9 t -78.75 -29.06 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.166 0.508 . . . . 0.0 110.441 177.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 26.8 mm-40 -71.96 -28.95 63.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.469 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.906 -179.714 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.672 0.272 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.1 p -91.09 169.47 10.83 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 170.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.543 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 46.0 mm -63.97 -31.69 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -61.16 -43.54 98.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.55 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.92 -38.39 90.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.812 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.29 -46.31 80.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.945 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 90.0 mt -59.7 -44.38 93.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.84 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.19 -36.59 84.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.79 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -65.06 -33.96 77.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 110.37 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.09 -25.62 62.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.0 mmt -73.44 -21.11 60.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.2 -23.25 51.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.142 0.496 . . . . 0.0 110.504 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -85.41 117.34 68.56 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.68 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.71 137.74 46.74 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.761 2.307 . . . . 0.0 112.205 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.23 -20.83 34.71 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.369 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.41 115.11 20.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.878 0.371 . . . . 0.0 110.04 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -118.15 148.49 42.29 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.243 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -90.94 128.16 36.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.783 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.541 ' HB2' ' HB2' ' A' ' 28' ' ' GLN . 15.5 m -113.09 142.25 45.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.34 112.23 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.751 0.786 . . . . 0.0 110.696 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -104.37 112.57 25.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.119 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 62.3 t30 -60.95 164.65 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 39.2 t70 89.74 -32.81 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.333 1.053 . . . . 0.0 109.081 -169.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -116.17 -36.98 3.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.637 170.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.8 tttm 68.44 13.86 9.04 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.607 0.718 . . . . 0.0 110.943 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.12 178.76 4.82 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.599 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 m -102.59 132.88 48.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.158 0.504 . . . . 0.0 111.942 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.677 ' HG3' ' HG3' ' A' ' 38' ' ' MET . 2.5 mp0 -105.65 142.32 35.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.466 174.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.6 mp -114.93 110.74 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -138.44 162.3 34.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.051 0.453 . . . . 0.0 111.446 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -103.9 -133.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -44.51 -69.94 0.12 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.397 0.435 . . . . 0.0 110.849 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -138.64 3.09 2.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.982 0.896 . . . . 0.0 109.326 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.8 t -82.88 96.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.611 -175.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.4 tp -87.74 95.35 10.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -97.55 -21.35 17.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.872 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.82 126.11 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 0.0 111.316 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.677 ' HG3' ' HG3' ' A' ' 28' ' ' GLN . 41.3 ttp -144.79 120.12 10.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.391 176.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.472 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 9.9 p -86.88 144.25 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.084 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.576 ' NZ ' ' HB2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -141.43 133.04 27.04 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -87.02 111.98 21.39 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' ' 43' ' ' GLU . 7.1 p -139.04 138.1 41.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.543 ' HG2' HG22 ' A' ' 42' ' ' VAL . 25.7 mm-40 64.46 33.64 10.91 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.414 0.626 . . . . 0.0 109.332 -174.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.0 t30 73.51 -6.2 1.82 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.155 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.584 ' HB2' ' HE2' ' A' ' 82' ' ' TYR . 4.7 mmp_? -114.18 140.24 24.73 Favored Pre-proline 0 C--N 1.323 -0.558 0 O-C-N 121.804 -0.56 . . . . 0.0 111.31 -177.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.87 117.41 5.14 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.731 2.287 . . . . 0.0 112.02 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.02 154.38 44.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.644 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -115.51 150.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.942 0.401 . . . . 0.0 110.303 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.0 m -134.87 118.36 16.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.305 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 6.5 mp -94.49 144.01 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 174.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -78.61 92.17 4.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.211 0.529 . . . . 0.0 110.159 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 15.0 m 71.35 -84.41 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.212 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.466 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 60.4 p 59.1 154.68 0.09 OUTLIER Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 124.373 1.069 . . . . 0.0 112.76 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.63 -39.96 4.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.653 2.235 . . . . 0.0 112.128 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.6 -48.4 72.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.705 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.557 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 17.2 mt -66.64 -32.56 73.96 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.77 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.38 -53.36 57.17 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.5 -48.86 78.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.995 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 tp -59.8 -28.7 67.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.562 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mp -67.27 -30.83 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.406 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -75.75 -49.58 17.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.963 0.411 . . . . 0.0 110.449 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -73.35 -35.72 66.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.747 -173.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 58.67 -157.35 0.32 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.621 0.368 . . . . 0.0 110.998 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 69.24 16.54 8.45 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.122 0.569 . . . . 0.0 111.336 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 p -111.06 6.16 20.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.428 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 t70 58.41 43.83 19.16 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.794 0.806 . . . . 0.0 110.203 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.546 ' HB ' HG13 ' A' ' 81' ' ' VAL . 7.5 p . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.954 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? . . . . . 0 N--CA 1.455 -0.211 0 CA-C-O 121.18 0.514 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -68.31 -27.34 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.025 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.455 HD11 ' HE2' ' A' ' 40' ' ' LYS . 92.0 mt -102.19 -77.53 0.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.662 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.725 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 61.5 t30 -167.49 105.29 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -52.02 -54.23 32.4 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -164.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.0 10.76 38.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -168.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.463 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 29.7 m80 -139.04 -22.94 0.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.175 -0.61 . . . . 0.0 112.597 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.725 ' HD1' ' HB3' ' A' ' 74' ' ' ASN . 91.8 m95 -115.49 125.02 52.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.878 0.37 . . . . 0.0 110.131 173.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.5 p -125.39 139.02 54.02 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.04 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.1 m -102.05 114.21 28.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.546 HG13 ' HB ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.69 133.33 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.584 ' HE2' ' HB2' ' A' ' 45' ' ' ARG . 31.2 m-85 -88.07 115.42 25.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.034 0.445 . . . . 0.0 112.041 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.647 HD22 HG12 ' A' ' 92' ' ' ILE . 94.2 mt -69.25 -31.72 70.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.692 175.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.433 ' OD2' ' HD3' ' A' ' 45' ' ' ARG . 32.4 t70 -85.03 77.16 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.897 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.05 -63.22 0.62 Allowed Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.877 175.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.7 m -69.62 -50.55 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.801 0.334 . . . . 0.0 111.877 -174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.434 HD21 ' CG1' ' A' ' 81' ' ' VAL . 3.6 mm? -93.18 135.19 25.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.242 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.466 ' HD2' ' HG3' ' A' ' 91' ' ' GLN . 16.9 Cg_exo -68.64 149.15 73.48 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.529 2.153 . . . . 0.0 110.581 168.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.41 -28.74 65.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.152 0.501 . . . . 0.0 111.547 -176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 p -69.59 -30.04 67.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.902 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.466 ' HG3' ' HD2' ' A' ' 88' ' ' PRO . 78.3 mm-40 -70.69 -31.72 68.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.412 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.647 HG12 HD22 ' A' ' 83' ' ' LEU . 51.6 mt -53.55 -40.29 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.623 -175.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -56.79 -48.87 76.94 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 111.206 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -73.03 -35.84 66.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.97 -173.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.3 mt -58.18 -45.42 87.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.967 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.55 -43.66 77.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.26 -41.01 97.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.394 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.02 -41.79 73.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.352 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.484 ' HB2' HD23 ' A' ' 50' ' ' LEU . 8.4 t -68.87 -28.3 66.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.15 0.5 . . . . 0.0 109.924 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.457 ' O ' HG23 ' A' ' 104' ' ' VAL . 58.9 t80 -72.08 -36.76 69.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.272 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -54.07 50.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.193 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.466 ' OE1' ' HA ' ' A' ' 53' ' ' SER . 10.0 pt20 -60.11 -32.88 71.4 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -65.16 -42.5 93.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.968 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 100' ' ' TYR . 57.3 t -63.12 -36.27 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -68.92 -16.43 63.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.781 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 97.1 mt -97.83 -7.46 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 92.3 mt -84.3 148.33 52.54 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.066 -176.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 111' ' ' LYS . 25.7 Cg_endo -62.14 163.29 20.3 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.065 2.51 . . . . 0.0 112.772 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.4 tp10 -57.53 -46.79 83.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.525 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -58.54 -44.5 89.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.385 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 0.5 OUTLIER -74.07 -34.84 64.17 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.354 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 112' ' ' ARG . 45.6 mtp180 -59.52 -33.99 72.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.631 0.253 . . . . 0.0 110.96 178.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 74.8 mmtt -63.81 -38.54 91.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.152 0.501 . . . . 0.0 110.642 177.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 70.3 mt -70.74 -39.94 73.04 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.502 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 65.6 mt -60.29 -34.39 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.84 -37.97 70.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.923 0.392 . . . . 0.0 110.401 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -46.18 84.39 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.387 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.9 mt . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.183 -174.828 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.689 0.281 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 p -98.42 168.31 10.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.802 0.334 . . . . 0.0 111.179 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 63.6 mt -61.62 -42.14 93.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.47 -177.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 p -62.96 -39.56 95.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.564 -176.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.57 -40.64 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.05 0.452 . . . . 0.0 110.358 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.773 HD11 HG21 ' A' ' 96' ' ' VAL . 31.8 tp -65.13 -44.49 88.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.204 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 87.8 mt -62.05 -38.04 87.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.968 178.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -62.36 -43.1 99.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.903 0.382 . . . . 0.0 110.384 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -65.44 -34.09 77.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.845 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.16 -26.08 61.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.435 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 1.4 mmt -76.66 -12.71 60.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 110.708 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.65 7.33 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.27 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 75.2 mmtt -109.81 107.11 58.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.655 177.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 15.4 Cg_endo -57.78 132.47 50.18 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.692 2.261 . . . . 0.0 112.208 -178.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.01 -27.37 19.74 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.025 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.61 131.61 37.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.91 0.386 . . . . 0.0 110.663 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -122.29 150.91 41.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.77 122.08 32.52 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.674 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 m -121.91 104.56 9.63 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.4 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -98.87 120.77 48.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.319 0.58 . . . . 0.0 110.466 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.408 ' C ' ' H ' ' A' ' 23' ' ' ASP . 47.3 m-70 -116.05 137.11 52.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.773 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -71.96 16.21 0.13 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 21' ' ' HIS . 19.2 t70 -61.76 -58.4 8.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.383 0.611 . . . . 0.0 109.731 172.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -121.85 2.79 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.877 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt 60.97 23.88 14.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.396 -169.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -86.85 157.16 19.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.72 -177.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 m -91.82 117.37 29.71 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.604 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -100.39 121.05 40.89 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.9 mt -103.6 115.39 45.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.3 -175.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -129.45 158.39 39.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.324 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.725 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -88.39 -134.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.482 ' HG3' ' HG2' ' A' ' 111' ' ' LYS . 5.8 mm-40 -55.6 -67.15 0.31 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.107 0.48 . . . . 0.0 110.458 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -134.56 5.49 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.722 0.772 . . . . 0.0 109.878 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 47.1 t -97.47 107.92 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.871 -176.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt -95.89 105.91 17.99 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 173.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -94.04 -34.87 12.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.595 -176.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.68 139.44 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.82 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -136.86 133.73 36.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.919 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.539 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 13.2 m -85.0 98.17 6.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.458 0.647 . . . . 0.0 111.074 -177.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -93.33 104.92 17.05 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.553 ' OE2' ' HA ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -88.44 136.87 32.78 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.326 -172.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.504 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.6 p -134.19 121.53 38.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.498 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HG3' HG22 ' A' ' 42' ' ' VAL . 43.0 mt-10 63.28 29.54 15.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.12 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.553 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 2.2 t-20 66.86 22.64 10.16 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.757 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.52 ' HD2' ' HB2' ' A' ' 84' ' ' ASP . 23.9 mmt180 -99.58 127.67 33.52 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.371 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.35 109.92 0.81 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.7 2.267 . . . . 0.0 112.155 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.06 125.22 20.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.23 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.527 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 6.4 p -116.48 128.9 73.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.971 0.415 . . . . 0.0 110.627 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 20.3 m -96.85 113.96 25.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.635 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.74 153.34 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.882 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' A' ' 51' ' ' LYS . 1.8 ttpm? -93.4 27.63 2.51 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 175.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 m 73.07 126.88 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.951 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.557 ' H ' ' HB3' ' A' ' 56' ' ' LEU . 49.3 m -120.64 162.5 34.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.194 177.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.43 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . 60.6 Cg_exo -52.04 -64.13 0.21 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 122.555 2.17 . . . . 0.0 113.068 -177.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' OE1' ' HB2' ' A' ' 54' ' ' PRO . 3.4 mp0 -62.83 -29.91 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.205 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.557 ' HB3' ' H ' ' A' ' 53' ' ' SER . 3.4 tm? -63.25 -43.7 97.28 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.53 81.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.477 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.7 -51.8 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.642 0.734 . . . . 0.0 109.302 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' A' ' 64' ' ' HIS . 48.8 tp -59.05 -38.2 78.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.231 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.1 tp -66.52 -39.91 88.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.454 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -68.03 -49.25 62.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.31 -16.48 39.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.353 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 55.29 55.7 7.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.615 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.522 ' HB2' HD12 ' A' ' 59' ' ' LEU . 24.6 m80 -78.37 -12.04 59.98 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.415 0.626 . . . . 0.0 109.932 175.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.9 m -148.16 136.67 21.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.344 173.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.07 114.09 19.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.169 0.509 . . . . 0.0 111.392 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 81' ' ' VAL . 11.2 p . . . . . 0 C--N 1.32 -0.696 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.094 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -66.65 -22.06 66.1 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.403 0.44 . . . . 0.0 111.232 -175.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.7 mt -66.99 -77.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.365 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -163.26 95.17 0.84 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -22.42 65.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.027 -176.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.36 4.91 41.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -174.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -145.67 -40.69 0.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.344 . . . . 0.0 111.009 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -100.25 135.02 42.32 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 m -124.95 126.45 45.5 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.057 0.456 . . . . 0.0 109.805 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 50.5 m -105.14 122.49 46.02 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.176 -177.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.533 ' HA ' HG23 ' A' ' 67' ' ' VAL . 48.0 t -85.67 111.39 20.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.867 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -88.47 98.17 11.48 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.69 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.98 36.95 2.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.076 0.465 . . . . 0.0 110.751 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.52 ' HB2' ' HD2' ' A' ' 45' ' ' ARG . 4.8 p-10 -78.18 -27.36 47.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.083 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -151.4 27.08 0.97 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.998 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.6 t -165.84 -167.92 1.19 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.428 ' HG ' ' CG1' ' A' ' 81' ' ' VAL . 3.7 mm? 62.94 98.02 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.282 0 O-C-N 123.773 0.671 . . . . 0.0 111.648 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.0 153.18 65.86 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.705 2.27 . . . . 0.0 112.004 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.55 -46.55 86.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.527 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.3 m -63.32 -31.1 72.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.112 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.492 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 6.5 tp60 -68.79 -44.83 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.45 -43.51 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.056 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -50.32 -43.9 53.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.213 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -68.26 -43.45 77.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.322 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 97.1 mt -72.16 -39.52 68.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -174.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.773 HG21 HD11 ' A' ' 6' ' ' LEU . 92.3 t -63.53 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.327 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -32.12 72.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.74 70.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.349 0.595 . . . . 0.0 110.342 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 18.1 m -73.94 -34.49 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.344 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.422 ' O ' HG23 ' A' ' 104' ' ' VAL . 66.4 t80 -73.34 -35.84 66.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.119 174.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -53.49 -52.44 59.55 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.138 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.446 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 8.7 pt20 -60.69 -33.73 73.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -65.18 -40.28 94.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.65 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 100' ' ' TYR . 52.2 t -64.76 -31.09 52.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.243 0.544 . . . . 0.0 110.702 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -76.86 -24.43 52.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 97.7 mt -86.39 -13.24 46.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.725 HD11 HG11 ' A' ' 31' ' ' VAL . 93.2 mt -82.93 136.14 44.56 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.649 178.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.595 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 23.8 Cg_exo -64.81 170.94 9.3 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.845 2.364 . . . . 0.0 112.267 177.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 6.3 tp10 -55.38 -45.76 76.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.986 -177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -48.09 -49.96 29.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.625 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.595 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 4.3 mptp? -68.67 -47.08 67.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.556 -177.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 116' ' ' VAL . 35.8 mtp85 -59.26 -39.43 82.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.879 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.808 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 9.8 mmpt? -60.61 -34.59 74.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 111.271 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.43 -43.51 66.6 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.77 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 81.3 mt -62.94 -27.81 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.827 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 112' ' ' ARG . 87.1 t -59.66 -38.25 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 111.285 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.642 HE21 ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -75.41 -28.15 59.3 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.027 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.606 -0.711 . . . . 0.0 111.316 -174.563 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.692 0.282 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.0 162.97 16.93 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mm -57.77 -36.9 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.302 . . . . 0.0 110.99 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 m -60.07 -53.87 52.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.688 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.38 -41.09 96.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.738 0.304 . . . . 0.0 110.701 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.63 -49.85 75.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.041 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.36 -47.37 86.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.218 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.64 -41.6 95.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.051 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -64.28 -42.13 96.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.028 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.8 m -61.67 -46.81 88.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.208 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.8 ttt -71.12 -19.27 62.47 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.061 0.458 . . . . 0.0 110.824 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.67 -12.59 59.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 11.2 mmmm -88.87 121.72 69.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_exo -52.53 130.17 35.26 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.207 2.605 . . . . 0.0 113.272 -174.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 104.82 -10.97 49.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.945 175.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.21 104.64 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.955 0.407 . . . . 0.0 111.764 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.63 124.89 50.28 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 173.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -91.95 120.69 32.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.055 0.455 . . . . 0.0 111.878 -173.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 m -116.88 117.29 29.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.502 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -93.7 121.49 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.676 0.751 . . . . 0.0 112.229 -175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 12.0 t60 -85.91 122.9 30.62 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 170.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.415 ' CG ' ' H ' ' A' ' 23' ' ' ASP . 53.3 t30 -74.33 -152.7 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.461 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 22.6 t70 74.58 -68.88 0.2 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.255 0.622 . . . . 0.0 111.044 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.492 ' HZ3' ' HE1' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -113.53 2.13 15.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.217 177.457 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 64.5 87.97 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.641 0.734 . . . . 0.0 110.758 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.753 ' HB1' ' HG2' ' A' ' 40' ' ' LYS . . . -124.47 107.36 11.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.404 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 38' ' ' MET . 19.4 m -83.28 116.31 22.37 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.49 ' HB3' HD13 ' A' ' 35' ' ' LEU . 77.6 mt-30 -91.48 120.39 32.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.095 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.5 mt -91.17 107.83 19.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HD2' ' HA ' ' A' ' 33' ' ' ASP . 23.8 ttpt -140.29 145.4 37.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.039 -168.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.517 HG22 ' HB ' ' A' ' 34' ' ' VAL . 16.1 m -79.89 -137.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 171.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -52.02 -59.8 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 110.326 174.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.542 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 16.9 t70 -159.74 73.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.152 0.501 . . . . 0.0 110.21 170.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.525 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 95.0 t -148.4 116.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.053 176.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 38' ' ' MET . 38.1 tp -97.83 108.99 21.83 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -106.89 -22.58 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.512 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 49' ' ' SER . . . -163.79 145.08 8.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.235 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.573 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -157.74 138.43 13.04 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.01 0.433 . . . . 0.0 111.448 178.329 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -90.2 135.26 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.813 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.753 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 22.0 mtmm -139.8 148.12 41.73 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -176.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 18.3 tt0 -99.08 110.22 22.84 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.436 HG22 ' HG3' ' A' ' 43' ' ' GLU . 3.8 p -142.97 142.48 26.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 42' ' ' VAL . 54.2 mt-10 62.07 26.23 15.78 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -172.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 55.08 36.34 26.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.929 -174.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.451 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 7.5 ttt85 -137.85 135.67 19.1 Favored Pre-proline 0 N--CA 1.449 -0.514 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.086 -175.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 16.8 Cg_exo -67.25 111.35 2.24 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.573 2.182 . . . . 0.0 111.376 177.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . . . -125.42 132.81 52.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.21 0.529 . . . . 0.0 112.011 -176.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.45 134.39 58.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 23.6 m -118.73 136.93 53.69 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.877 -176.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.31 143.89 32.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.37 140.97 56.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 169.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.3 m -41.5 104.93 0.04 OUTLIER 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.821 0.701 . . . . 0.0 112.498 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.588 ' HB3' HD23 ' A' ' 56' ' ' LEU . 33.0 t -108.54 145.41 31.54 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.182 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -51.61 -58.83 1.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.921 2.414 . . . . 0.0 112.436 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.0 -30.37 70.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.318 -175.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' ' 53' ' ' SER . 4.4 mm? -67.93 -43.28 79.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 110.478 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -71.01 -33.5 70.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 0.0 110.548 177.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -43.81 95.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.651 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.02 -40.49 93.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.673 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 57' ' ' ALA . 84.4 mt -60.87 -30.5 70.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.925 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.458 ' HA ' ' HD3' ' A' ' 61' ' ' ARG . 18.2 mmt180 -76.25 -30.92 58.05 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -176.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.03 -48.75 6.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.723 0.297 . . . . 0.0 111.356 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -92.91 155.89 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.454 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -161.94 3.73 0.05 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 p -122.24 15.74 10.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.075 0.464 . . . . 0.0 111.108 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.12 -61.39 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.346 -177.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 121.357 0.599 . . . . 0.0 110.464 175.584 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 71' ' ' ARG . 13.3 ttm180 . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.492 ' HE1' ' HZ3' ' A' ' 24' ' ' TRP . 33.8 p80 -96.61 -15.71 21.39 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.67 -77.67 0.04 OUTLIER 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.657 0.265 . . . . 0.0 110.788 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -164.31 143.41 7.44 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -87.12 -40.39 14.69 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.38 -28.3 5.03 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -170.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -73.71 -19.18 60.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.917 0.389 . . . . 0.0 110.247 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -137.81 161.04 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.068 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 49' ' ' SER . 11.9 m -125.66 125.71 43.52 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 170.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.1 m -116.44 116.84 28.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.027 0.441 . . . . 0.0 112.126 -168.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.5 t -104.42 119.45 53.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.901 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 86.9 m-85 -88.19 135.59 33.37 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.0 mt -79.69 76.46 6.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.111 0.481 . . . . 0.0 110.706 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.38 -89.52 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.857 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.6 38.15 0.62 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.96 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.3 t -145.8 -168.77 3.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 3.9 mm? 57.55 91.58 0.07 OUTLIER Pre-proline 0 CA--C 1.527 0.085 0 O-C-N 123.829 0.706 . . . . 0.0 110.998 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.458 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 19.1 Cg_endo -58.74 158.48 24.06 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.643 2.228 . . . . 0.0 112.622 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.477 ' HA ' HD12 ' A' ' 92' ' ' ILE . 2.2 m-20 -52.17 -33.88 42.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.371 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 p -58.31 -46.67 85.73 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.378 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.488 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.4 mm-40 -66.98 -34.11 77.04 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.934 0.397 . . . . 0.0 110.5 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 89' ' ' ASP . 68.4 mt -62.67 -38.35 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.704 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -58.24 -46.08 86.6 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -58.86 -49.82 76.31 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.679 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 96.3 mt -53.3 -48.25 68.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.678 -176.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -74.07 -43.11 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -74.44 -37.42 63.28 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.086 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.95 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.623 0.249 . . . . 0.0 111.265 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.756 ' HA ' HE21 ' A' ' 102' ' ' GLN . 19.0 p -66.85 -35.41 79.98 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 104' ' ' VAL . 51.6 t80 -61.54 -47.05 87.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.423 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -34.7 73.13 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.113 176.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.756 HE21 ' HA ' ' A' ' 99' ' ' SER . 43.0 mt-30 -58.02 -37.33 74.12 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.156 0.285 . . . . 0.0 110.74 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.497 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -75.96 -44.91 37.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.745 0.307 . . . . 0.0 110.747 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 100' ' ' TYR . 95.7 t -55.85 -44.55 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.338 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.12 -16.35 59.21 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.248 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 71.1 mt -86.42 -18.43 31.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.674 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.654 ' HB3' ' HB3' ' A' ' 111' ' ' LYS . 91.7 mt -76.74 140.67 67.76 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.61 ' HD2' ' HB2' ' A' ' 111' ' ' LYS . 8.2 Cg_exo -72.96 175.89 9.81 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.005 2.47 . . . . 0.0 112.469 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -51.74 -52.97 44.59 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.857 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.93 -45.98 78.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.237 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -64.7 -38.97 92.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.274 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 116' ' ' VAL . 69.1 mtp180 -70.82 -27.06 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.37 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 36.0 mmtm -62.47 -37.75 87.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.846 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 87.3 mt -61.49 -41.18 96.89 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.755 177.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 107' ' ' LEU . 75.0 mt -65.51 -27.22 68.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.225 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 112' ' ' ARG . 64.0 t -79.69 -36.46 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.601 178.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -72.3 -40.5 67.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.233 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 96.8 mt . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.626 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.8 p -82.32 145.44 29.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.053 0.454 . . . . 0.0 111.897 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.403 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 42.4 mm -65.47 -28.3 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.299 -177.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 t -57.44 -40.75 79.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.025 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -67.06 -40.01 87.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.476 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.88 -47.32 81.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.062 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 92.2 mt -60.26 -43.83 95.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.315 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -66.53 -34.51 78.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.861 0.363 . . . . 0.0 110.556 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.76 -32.52 74.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.3 m -72.64 -40.18 66.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.387 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.42 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 2.3 mmt -67.28 -20.07 65.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.34 -7.1 56.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.021 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -93.98 114.39 63.04 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.693 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.2 105.87 0.75 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.725 2.283 . . . . 0.0 112.846 -176.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.4 -21.42 5.72 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.402 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.73 130.08 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.17 0.509 . . . . 0.0 111.595 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.1 124.67 46.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.397 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -105.99 120.61 42.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.967 0.413 . . . . 0.0 110.764 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -121.79 117.17 25.9 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.581 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 5.1 p -81.96 132.15 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.476 . . . . 0.0 110.349 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 117.46 29.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.747 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -60.95 -29.87 69.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.217 0.323 . . . . 0.0 111.559 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -80.41 -4.13 52.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.786 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -130.82 -17.33 3.19 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 60.66 29.09 18.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.464 0.65 . . . . 0.0 110.195 -174.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' A' ' 40' ' ' LYS . . . -122.74 151.6 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.777 -175.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 26.0 m -98.48 118.27 34.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.206 0.527 . . . . 0.0 111.654 -174.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 27.0 mt-30 -100.08 128.7 46.12 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.9 mt -104.2 116.59 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.994 -171.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 33' ' ' ASP . 7.3 ptpt -120.83 169.67 10.21 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.224 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.795 HG11 HD11 ' A' ' 107' ' ' LEU . 2.3 t -89.75 -133.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 168.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.81 88.26 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.064 0.459 . . . . 0.0 109.994 172.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 32.5 t70 -154.62 -14.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.91 172.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.29 118.06 16.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.877 0.37 . . . . 0.0 110.989 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.9 tp -91.4 112.38 24.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.948 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -100.56 -45.34 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.413 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.34 162.89 39.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.675 0.274 . . . . 0.0 110.598 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.456 ' SD ' ' HD2' ' A' ' 40' ' ' LYS . 21.3 ptt? -156.73 130.89 8.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.714 0.292 . . . . 0.0 111.158 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 5.5 p -90.41 116.86 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.733 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 40.0 mtpt -138.96 111.23 7.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.824 0.345 . . . . 0.0 110.642 -173.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -75.75 112.7 12.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.21 0.529 . . . . 0.0 110.541 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.69 132.01 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 68.51 23.27 7.43 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.268 0.556 . . . . 0.0 109.627 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 t30 61.46 29.18 18.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.977 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -114.11 114.0 46.23 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.778 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.627 ' HD2' ' HB2' ' A' ' 84' ' ' ASP . 50.1 Cg_exo -54.02 122.58 11.66 Favored 'Trans proline' 0 C--O 1.239 0.532 0 C-N-CA 123.27 2.647 . . . . 0.0 112.787 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.481 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -163.33 141.46 7.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.174 0.511 . . . . 0.0 111.701 -176.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 7.7 p -115.03 135.2 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.285 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 m -102.83 116.13 31.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.978 0.418 . . . . 0.0 111.253 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 50' ' ' LEU . 5.9 mp -103.37 165.44 11.03 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 174.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.09 -171.57 3.03 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 171.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.7 m -61.29 98.0 0.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.374 0.607 . . . . 0.0 111.484 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.5 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . 22.6 t -110.24 140.79 22.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.382 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.42 -65.75 0.14 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 123.456 2.77 . . . . 0.0 113.665 -173.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.27 -30.5 70.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.571 0.224 . . . . 0.0 111.597 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 4.2 mm? -67.52 -50.53 58.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 0.0 110.497 177.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.26 -43.23 87.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.01 -39.93 72.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.55 -52.25 64.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.801 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.7 -29.16 62.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.64 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -65.26 -43.48 91.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.809 0.337 . . . . 0.0 110.733 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -85.67 -49.33 8.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.787 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -106.15 89.6 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.176 0.512 . . . . 0.0 110.724 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -87.57 77.19 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.077 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -145.6 156.39 43.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.927 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.0 t70 74.43 -55.63 0.65 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.079 0.952 . . . . 0.0 112.901 171.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.329 -0.324 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.376 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 121.072 0.463 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.672 ' HE1' HG21 ' A' ' 80' ' ' THR . 21.1 m80 -96.51 -49.38 5.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.213 0.53 . . . . 0.0 109.657 170.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.412 HD12 ' HB3' ' A' ' 72' ' ' HIS . 5.2 mp -143.48 -62.7 0.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.582 175.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.675 HD21 ' HB2' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -108.78 156.32 19.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.332 176.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -82.92 -32.09 27.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.101 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.94 94.7 2.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.113 0.482 . . . . 0.0 111.952 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.446 ' HB3' ' OD1' ' A' ' 74' ' ' ASN . 11.4 t-80 -177.67 -56.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 172.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.675 ' HB2' HD21 ' A' ' 74' ' ' ASN . 55.3 m95 -80.06 150.66 30.25 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 161.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -125.95 126.2 43.96 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.672 HG21 ' HE1' ' A' ' 72' ' ' HIS . 54.0 m -109.93 124.34 51.21 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.233 0.54 . . . . 0.0 111.404 -174.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.42 108.52 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.448 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -64.67 102.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.734 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.73 -22.55 66.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.322 0.582 . . . . 0.0 109.84 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.627 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 12.5 t70 -58.72 -27.64 65.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.36 174.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.44 -12.02 60.54 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.448 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.7 m 67.56 86.91 0.13 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.281 0.563 . . . . 0.0 111.208 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.58 152.15 38.35 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.685 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.57 144.56 41.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.677 2.251 . . . . 0.0 112.165 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -60.39 -33.18 72.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.274 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.0 m -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.518 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.494 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 15.3 mm-40 -66.48 -34.7 78.52 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.888 0.375 . . . . 0.0 110.941 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.87 -39.46 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -57.14 -42.97 81.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.204 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -67.61 -51.21 52.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.979 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 91.6 mt -53.56 -47.31 70.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.953 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.7 t -72.62 -47.8 49.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.392 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -68.12 -44.25 76.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.485 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.39 90.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.934 0.397 . . . . 0.0 111.305 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.41 ' HA ' HE21 ' A' ' 102' ' ' GLN . 44.9 m -69.14 -39.0 79.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.447 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.511 ' O ' HG23 ' A' ' 104' ' ' VAL . 41.8 t80 -71.6 -38.5 70.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -42.9 79.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.195 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.496 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 49.5 mt-30 -59.0 -42.07 89.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.8 79.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.124 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 100' ' ' TYR . 94.6 t -61.81 -39.49 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.3 -16.87 61.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.901 0.381 . . . . 0.0 111.058 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 91.8 mt -84.19 -11.41 56.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 0.0 110.601 177.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.795 HD11 HG11 ' A' ' 31' ' ' VAL . 98.1 mt -93.78 145.81 30.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.766 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 16.4 Cg_exo -68.28 155.61 68.7 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 123.004 2.47 . . . . 0.0 112.328 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 6.2 tp10 -49.1 -55.37 12.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.643 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -49.27 -50.21 39.93 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.902 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.21 -41.82 99.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.453 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 116' ' ' VAL . 21.8 mtm180 -64.87 -37.71 88.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 43.5 mtpt -65.14 -30.61 71.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.837 0.351 . . . . 0.0 110.778 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.03 -41.01 91.49 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.258 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.46 -30.57 71.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.886 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 112' ' ' ARG . 60.0 t -62.82 -29.28 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.227 0.537 . . . . 0.0 111.065 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -73.96 -25.76 60.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.711 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.877 -178.719 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.404 ' HE2' ' HA ' ' A' ' 89' ' ' ASP . 50.2 ttp . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -116.49 171.18 8.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.918 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 39' ' ' VAL . 18.2 tt -70.44 -21.63 23.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.136 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -58.23 -35.52 71.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 0.0 110.666 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -73.32 -30.57 63.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.522 ' HG ' HG22 ' A' ' 92' ' ' ILE . 2.9 mm? -73.7 -30.92 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.598 176.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -43.81 78.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.102 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -63.05 -33.27 75.08 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -73.12 -32.74 65.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.986 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.4 m -60.37 -33.11 71.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.009 0.433 . . . . 0.0 110.759 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.4 mmt -76.53 -7.8 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.77 -12.11 49.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.971 0.415 . . . . 0.0 110.33 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -86.29 118.33 70.17 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.804 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.31 137.43 40.03 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.521 2.147 . . . . 0.0 112.186 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.28 -21.39 38.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.757 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.91 115.22 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.698 0.285 . . . . 0.0 110.785 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -119.79 165.32 14.72 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.283 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.567 ' HG2' HG12 ' A' ' 29' ' ' ILE . 20.0 mt-30 -107.99 142.25 38.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.8 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -131.54 127.45 37.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.753 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.1 p -104.51 140.63 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.864 0.364 . . . . 0.0 110.449 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -119.36 136.23 54.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -77.14 95.96 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.164 -173.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -168.87 -69.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.53 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -92.53 -8.83 43.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.839 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.6 tttt 62.93 25.4 15.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 122.045 0.926 . . . . 0.0 108.951 -170.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.71 136.97 56.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.094 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.8 m -98.0 117.13 31.65 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -108.77 115.74 30.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.472 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.567 HG12 ' HG2' ' A' ' 18' ' ' GLN . 31.7 mt -95.48 119.36 43.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.808 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -142.28 169.1 18.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.046 0.451 . . . . 0.0 110.987 -175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.51 -133.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -52.39 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.909 0.385 . . . . 0.0 110.217 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -142.2 14.0 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.289 0.566 . . . . 0.0 109.591 170.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.0 t -88.72 104.05 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.39 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.61 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 55.5 tp -84.64 127.54 34.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.082 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -118.06 -26.27 6.44 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.563 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.4 145.71 19.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.904 0.383 . . . . 0.0 111.162 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -149.31 137.44 20.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.255 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 HD13 ' A' ' 3' ' ' ILE . 8.3 p -111.74 140.2 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.086 0.469 . . . . 0.0 111.434 -174.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HE2' ' HB2' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -141.8 134.28 28.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.452 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.56 111.04 19.16 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.474 170.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.557 HG22 ' HG2' ' A' ' 43' ' ' GLU . 7.7 p -126.26 133.47 68.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.534 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.557 ' HG2' HG22 ' A' ' 42' ' ' VAL . 30.6 mm-40 62.44 19.91 11.5 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.401 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 68.08 29.27 6.37 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.816 -175.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -119.04 130.72 24.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.526 172.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.4 107.76 1.66 Allowed 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.331 2.02 . . . . 0.0 111.047 174.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 80' ' ' THR . . . -122.59 126.6 48.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.129 0.49 . . . . 0.0 111.466 -174.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -115.08 138.45 45.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 79' ' ' SER . 2.7 p -110.71 122.65 48.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.886 0.374 . . . . 0.0 111.224 -178.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.11 160.33 14.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.947 176.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.61 ' HE3' ' O ' ' A' ' 35' ' ' LEU . 94.9 mttt -70.08 -61.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 170.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.9 t -174.74 156.21 2.27 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.15 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.662 ' HB2' HD23 ' A' ' 56' ' ' LEU . 44.8 m -155.08 146.46 16.78 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 176.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.53 -48.16 22.65 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.759 2.306 . . . . 0.0 112.739 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.8 mt-10 -75.25 -29.87 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.385 -178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -64.96 -46.59 80.9 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.683 0.278 . . . . 0.0 110.535 176.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.44 70.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.069 0.461 . . . . 0.0 110.555 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.27 -51.67 65.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.867 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 92.8 mt -54.97 -40.19 69.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.511 178.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.9 mt -61.47 -30.25 70.48 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 111.406 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -77.1 -32.88 56.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -91.8 -76.56 0.45 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -69.8 144.07 52.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -155.75 20.02 0.39 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.834 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 p -101.58 -51.63 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.942 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.67 -61.87 1.55 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.325 177.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 120.998 0.428 . . . . 0.0 110.71 176.258 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.691 ' HE ' ' HA ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 121.265 0.555 . . . . 0.0 110.634 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 11.0 t-80 -68.63 -16.14 63.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.727 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.43 -179.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 110.992 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -74.22 92.85 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -69.81 -24.08 63.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.28 19.56 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.403 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -147.44 -32.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.108 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -120.15 149.45 42.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' SER . 15.5 m -125.83 126.17 44.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.982 0.42 . . . . 0.0 109.954 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.404 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 96.2 m -110.39 118.28 35.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.3 -178.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 t -105.08 129.13 58.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.505 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.485 ' HE1' HG13 ' A' ' 42' ' ' VAL . 98.8 m-85 -86.0 111.27 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.91 176.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.526 HD22 HG12 ' A' ' 92' ' ' ILE . 92.7 mt -96.76 48.82 1.07 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.018 0.437 . . . . 0.0 111.025 -175.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -100.22 68.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 0.0 110.673 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.72 -8.39 28.59 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.525 -0.761 . . . . 0.0 113.529 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 p -77.34 -46.49 22.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 87' ' ' LEU . 4.0 mm? -89.39 142.14 29.47 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.826 -177.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.466 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 60.2 Cg_endo -73.87 164.64 34.1 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.635 2.223 . . . . 0.0 112.263 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.404 ' HA ' ' HE2' ' A' ' 1' ' ' MET . 5.0 p-10 -52.9 -47.49 67.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.444 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m -62.37 -33.68 75.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.856 -172.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.608 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 15.8 mm100 -70.63 -39.44 73.68 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.835 0.35 . . . . 0.0 110.516 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.526 HG12 HD22 ' A' ' 83' ' ' LEU . 61.9 mt -65.89 -41.21 89.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.763 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -61.16 -43.16 99.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.411 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -58.6 -43.44 89.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.252 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 78.9 mt -55.46 -45.01 76.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.505 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -77.26 -50.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.525 -176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.12 -42.99 83.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.537 -173.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.0 -45.29 82.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.676 0.274 . . . . 0.0 111.544 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.597 ' HA ' HE21 ' A' ' 102' ' ' GLN . 35.3 m -61.37 -42.02 98.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 104' ' ' VAL . 76.2 t80 -65.92 -46.57 77.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.852 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -54.35 47.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -175.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.597 HE21 ' HA ' ' A' ' 99' ' ' SER . 26.4 pt20 -63.14 -32.75 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -175.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.94 78.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 100' ' ' TYR . 93.9 t -66.56 -36.77 78.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.855 179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.23 -22.14 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 93.3 mt -87.26 -5.42 58.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.476 -176.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.49 148.96 56.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.065 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.486 ' HG2' ' HG2' ' A' ' 111' ' ' LYS . 41.7 Cg_endo -68.81 173.89 9.45 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 123.0 2.467 . . . . 0.0 113.687 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -49.66 -52.03 33.77 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.754 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -54.32 -52.94 59.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.373 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.486 ' HG2' ' HG2' ' A' ' 108' ' ' PRO . 29.4 mmmt -66.53 -50.67 62.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.007 -176.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.1 OUTLIER -49.91 -41.69 46.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.122 178.153 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -54.26 -51.99 62.8 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.454 0.471 . . . . 0.0 111.31 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.46 -41.07 98.49 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.143 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.411 HD13 HG13 ' A' ' 104' ' ' VAL . 92.1 mt -64.49 -26.19 68.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.537 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 112' ' ' ARG . 94.3 t -77.93 -38.82 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.605 0.24 . . . . 0.0 110.436 177.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.68 -48.59 78.64 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.796 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.769 -0.634 . . . . 0.0 111.171 -173.849 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 121.048 0.451 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.1 158.15 15.59 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.126 -175.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' A' ' 46' ' ' PRO . 40.7 mm -61.87 -35.39 67.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.225 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 m -57.1 -39.48 75.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.061 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -69.88 -43.34 72.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.448 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.33 -39.34 92.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.055 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.78 -51.1 70.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.094 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -63.88 -31.52 72.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.851 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -64.02 -35.69 81.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.262 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.2 m -73.26 -37.23 66.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -9.18 58.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.89 -3.75 58.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.052 0.453 . . . . 0.0 110.436 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 69.3 mmtt -100.13 123.1 48.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.96 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 22.5 Cg_exo -64.89 130.0 24.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.282 . . . . 0.0 112.384 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.88 -16.43 58.5 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.085 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.07 139.53 30.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -144.01 165.41 27.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.311 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -90.08 149.58 22.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.294 0.569 . . . . 0.0 111.874 -174.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.685 ' HB2' ' HB2' ' A' ' 28' ' ' GLN . 37.6 m -145.58 160.32 41.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.676 172.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 12.6 p -150.78 149.26 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.05 0.453 . . . . 0.0 111.408 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -135.73 143.69 45.48 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.83 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -81.95 116.51 21.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.218 0.532 . . . . 0.0 112.071 -174.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 179.63 -65.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.363 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -128.51 20.26 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.17 176.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.8 tttt 52.29 74.45 0.27 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.752 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' A' ' 20' ' ' VAL . . . -95.49 107.17 19.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.538 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -80.93 116.05 20.71 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.685 ' HB2' ' HB2' ' A' ' 19' ' ' SER . 46.4 mt-30 -106.54 137.86 43.77 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 -171.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.8 mt -112.42 109.73 29.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.396 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -139.01 164.82 28.74 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.899 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -92.9 -132.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -41.1 -69.26 0.14 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.215 0.531 . . . . 0.0 110.485 173.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -148.35 11.76 0.91 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.631 0.729 . . . . 0.0 109.519 171.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.8 t -82.7 100.79 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.166 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.4 tp -88.4 124.69 34.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.669 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 16.8 p90 -115.4 -30.07 6.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.626 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.27 150.03 19.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.976 0.417 . . . . 0.0 111.267 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.16 144.47 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 175.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 11.2 p -108.15 135.9 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.311 0.577 . . . . 0.0 111.119 -176.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HB2' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -128.57 160.24 33.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.58 111.56 17.82 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.496 HG22 ' HG2' ' A' ' 43' ' ' GLU . 11.9 p -144.0 143.82 23.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.015 -175.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HG2' HG22 ' A' ' 42' ' ' VAL . 41.4 mm-40 62.57 24.32 14.47 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.813 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 69.2 22.92 6.55 Favored 'General case' 0 CA--C 1.519 -0.214 0 O-C-N 123.979 0.799 . . . . 0.0 110.429 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 48.6 mtt85 -135.44 131.67 19.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 12.7 Cg_exo -70.48 126.83 13.25 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.649 2.233 . . . . 0.0 111.316 175.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.21 139.87 46.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.704 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.37 142.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.542 ' HA ' ' O ' ' A' ' 79' ' ' SER . 50.1 m -111.68 124.75 52.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.152 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.01 160.38 17.53 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -91.16 136.28 33.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.42 98.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.462 0.648 . . . . 0.0 112.565 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.7 ' HB2' HD23 ' A' ' 56' ' ' LEU . 6.4 m -92.54 166.35 17.15 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.087 176.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 53' ' ' SER . 91.0 Cg_exo -42.83 -55.31 2.8 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.125 2.55 . . . . 0.0 113.563 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -77.6 -40.43 42.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.654 0.264 . . . . 0.0 111.174 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.7 HD23 ' HB2' ' A' ' 53' ' ' SER . 3.8 mm? -62.99 -33.78 76.14 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.515 -177.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.12 -27.07 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 111.019 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -72.31 -39.38 68.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.052 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mp -54.55 -43.9 72.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.355 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.592 ' HA ' HG11 ' A' ' 67' ' ' VAL . 10.4 tt -69.03 -38.21 79.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.247 0.546 . . . . 0.0 110.223 177.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -61.81 -44.24 97.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.946 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -88.07 -50.18 6.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.894 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -98.29 104.93 17.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -175.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -89.55 0.49 56.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.647 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.5 m -97.19 -38.25 9.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -175.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.95 -26.3 34.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -171.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.592 HG11 ' HA ' ' A' ' 60' ' ' LEU . 12.0 p . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 121.302 0.572 . . . . 0.0 112.212 -171.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -95.19 -16.85 22.23 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mp -122.67 -55.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.095 0.474 . . . . 0.0 110.7 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.518 ' C ' HD22 ' A' ' 74' ' ' ASN . 0.3 OUTLIER -128.84 -174.45 3.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.002 -175.167 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -82.72 -56.18 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 170.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.62 93.84 1.03 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.106 0.479 . . . . 0.0 111.501 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.464 ' HB2' ' OD1' ' A' ' 74' ' ' ASN . 96.2 m-70 -139.31 -58.81 0.59 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -82.2 144.57 30.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 170.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 49' ' ' SER . 12.9 m -125.0 128.86 49.21 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.844 0.354 . . . . 0.0 110.555 -175.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.8 m -108.57 119.47 39.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.621 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.9 m -110.98 140.35 30.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.976 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -85.06 128.93 34.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.901 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.32 9.97 9.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -129.59 93.6 3.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.66 -43.91 1.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.674 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 m -95.83 129.36 43.09 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.462 HD22 ' HG2' ' A' ' 91' ' ' GLN . 72.4 mt 65.06 126.91 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.396 0 CA-C-O 121.495 0.664 . . . . 0.0 111.975 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 23.7 Cg_exo -65.0 161.76 35.46 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.609 2.206 . . . . 0.0 111.5 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -64.79 -20.1 66.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.463 -175.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -70.49 -35.24 73.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.077 0.465 . . . . 0.0 110.378 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.462 ' HG2' HD22 ' A' ' 87' ' ' LEU . 7.0 tp60 -70.35 -30.56 67.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.73 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.6 mt -54.74 -37.77 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.266 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -60.09 -45.45 92.9 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.974 0.416 . . . . 0.0 110.328 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -58.91 -44.41 91.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.964 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.42 -40.45 74.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.389 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.35 -50.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 0.2 OUTLIER -69.18 -41.91 76.54 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -173.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.84 92.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.821 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.669 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 19.0 m -64.89 -41.06 95.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.295 177.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.503 ' O ' HG23 ' A' ' 104' ' ' VAL . 59.3 t80 -66.54 -42.68 86.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.173 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 32.7 mm-40 -58.54 -43.85 89.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.576 0.227 . . . . 0.0 111.068 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -62.2 -42.67 99.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 177.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -60.7 -42.11 96.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.474 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 100' ' ' TYR . 99.7 t -60.12 -36.41 67.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -77.08 -16.73 59.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.02 -16.09 26.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.336 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 93.5 mt -75.13 135.78 73.16 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.479 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 17.4 Cg_exo -68.01 168.18 19.64 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.969 2.446 . . . . 0.0 112.709 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.535 ' HG3' ' HE2' ' A' ' 113' ' ' LYS . 7.8 tp10 -48.89 -52.56 23.74 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.917 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -52.6 -42.09 64.24 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.357 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 111' ' ' LYS . 4.5 mptp? -72.4 -44.7 62.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.108 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 112' ' ' ARG . 49.6 mtp180 -59.93 -31.95 70.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.849 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.535 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 59.2 mmtt -60.54 -44.6 95.93 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.149 0.499 . . . . 0.0 110.377 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 83.8 mt -63.35 -39.57 94.9 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.127 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.77 -29.39 66.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.222 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.09 -33.41 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.069 0.462 . . . . 0.0 110.711 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.43 -37.23 68.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.972 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 96.9 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.581 -0.723 . . . . 0.0 111.481 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.577 ' HB2' ' HB3' ' A' ' 89' ' ' ASP . 10.0 tmm? . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.76 175.81 5.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.782 -171.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.4 mm -54.5 -33.39 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.859 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 p -58.36 -45.71 87.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 0.0 111.118 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 28.0 mt-10 -77.46 -42.01 37.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.368 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.46 -48.75 71.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.653 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.678 HD21 HG21 ' A' ' 27' ' ' THR . 0.9 OUTLIER -55.01 -48.03 73.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.572 -177.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -66.92 -35.97 81.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.249 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -64.85 -42.3 95.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.689 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.26 -35.25 80.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.071 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.431 ' SD ' ' HB2' ' A' ' 18' ' ' GLN . 29.6 mmt -79.26 -10.7 59.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.124 -177.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.43 -8.87 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.184 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -114.01 118.69 42.09 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.662 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.06 145.05 66.16 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.177 2.585 . . . . 0.0 112.561 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.07 -21.41 29.36 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.795 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.31 122.87 42.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.109 0.481 . . . . 0.0 111.259 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -106.63 142.13 36.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.373 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.495 HE21 HD11 ' A' ' 7' ' ' LEU . 19.2 tt0 -89.77 135.69 33.48 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.8 p -146.15 122.55 10.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -93.09 128.6 44.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -99.83 97.38 8.3 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.82 101.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.298 0.571 . . . . 0.0 110.144 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 t70 172.1 -65.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 -173.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -88.35 -23.1 23.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.597 169.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? 59.43 71.98 0.55 Allowed 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.864 -171.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -150.09 177.86 9.5 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.703 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.678 HG21 HD21 ' A' ' 7' ' ' LEU . 22.8 m -108.1 128.7 54.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.388 0.613 . . . . 0.0 112.0 -173.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.588 ' HG2' ' HG3' ' A' ' 38' ' ' MET . 7.7 mt-30 -105.79 128.04 53.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.206 172.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.2 mt -99.33 108.8 23.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HB3' HD23 ' A' ' 35' ' ' LEU . 11.9 ptmm? -133.01 161.47 34.27 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.22 -171.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.82 HG11 HD11 ' A' ' 107' ' ' LEU . 2.3 t -87.12 -134.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 168.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.91 -57.02 14.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.945 0.402 . . . . 0.0 110.296 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.42 14.35 1.25 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.849 0.833 . . . . 0.0 109.823 174.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.0 t -97.51 116.39 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.183 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' A' ' 30' ' ' LYS . 33.9 mt -93.01 129.81 38.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.651 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.601 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 55.3 p90 -124.45 -9.15 7.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.943 176.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.3 140.85 11.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 111.041 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.588 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 26.6 ttm -151.0 116.32 5.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.96 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.593 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 8.0 p -107.31 132.98 53.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.803 0.335 . . . . 0.0 110.743 -176.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -127.8 159.23 35.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.228 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -106.25 110.73 23.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.144 0.497 . . . . 0.0 109.733 172.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.554 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.1 p -123.12 132.8 70.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.554 ' HG3' HG22 ' A' ' 42' ' ' VAL . 38.1 mt-10 61.15 24.59 14.68 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -174.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.2 t30 67.38 23.88 9.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.534 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 34.4 ptt180 -129.94 141.17 40.94 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.827 0.346 . . . . 0.0 110.375 174.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HB2' HD12 ' A' ' 83' ' ' LEU . 15.0 Cg_exo -69.12 126.38 13.66 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.258 2.639 . . . . 0.0 113.043 -176.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.45 127.81 38.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.611 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 12.6 p -115.32 142.43 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.933 0.397 . . . . 0.0 110.769 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.609 ' HB3' ' HB3' ' A' ' 78' ' ' TRP . 18.7 m -110.91 123.33 49.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.753 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 56' ' ' LEU . 8.3 mp -113.76 176.56 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.648 176.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -89.83 155.55 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.8 m -62.76 103.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.118 0.485 . . . . 0.0 111.215 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.577 ' HB3' HD23 ' A' ' 56' ' ' LEU . 35.8 t -117.46 147.99 41.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.461 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -46.63 -55.14 4.05 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.304 2.669 . . . . 0.0 113.353 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -72.94 -28.54 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 53' ' ' SER . 3.9 mm? -63.14 -35.52 80.57 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.229 173.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.25 -38.51 65.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.034 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -54.29 -48.43 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.714 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.0 tp -52.69 -51.56 59.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.398 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.99 -29.69 70.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.77 0.319 . . . . 0.0 111.68 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -72.68 -44.24 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.558 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.17 -35.52 18.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.489 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -118.08 96.39 5.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.221 0.534 . . . . 0.0 110.658 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -120.92 72.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.013 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.7 p -101.75 -67.32 0.87 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.152 0.501 . . . . 0.0 110.978 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -121.02 7.47 10.34 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.394 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.6 m . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 0.0 110.772 178.051 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.463 ' HE ' ' HB2' ' A' ' 71' ' ' ARG . 5.5 ttm180 . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.836 0.351 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -65.93 -27.45 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.901 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.25 -23.38 19.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.627 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 68.19 122.85 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.06 0.85 . . . . 0.0 111.434 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -62.47 -25.83 68.2 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.235 -177.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.18 -17.55 64.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.461 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -116.45 -49.01 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.568 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 85.4 m95 -123.31 149.83 44.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.307 0.575 . . . . 0.0 112.079 -175.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 49' ' ' SER . 51.4 m -124.82 132.36 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 172.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.3 m -100.83 120.52 40.24 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.344 0.593 . . . . 0.0 111.917 -170.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.92 120.67 64.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.431 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -86.85 154.39 20.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.037 0.446 . . . . 0.0 110.746 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.496 HD23 HD12 ' A' ' 87' ' ' LEU . 88.7 mt -98.84 24.28 7.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -77.48 -33.22 54.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.117 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.86 19.57 3.3 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 113.234 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 m 58.32 75.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.158 0.504 . . . . 0.0 110.941 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.496 HD12 HD23 ' A' ' 83' ' ' LEU . 95.4 mt -93.37 128.11 43.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.25 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -69.14 162.64 40.95 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.685 2.257 . . . . 0.0 111.926 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.7 p-10 -60.2 -36.39 77.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.24 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -53.3 -40.82 65.05 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.374 0.421 . . . . 0.0 111.609 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -44.94 57.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.32 0.581 . . . . 0.0 109.885 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.95 -32.62 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.617 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -54.71 -46.03 74.12 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.356 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -62.08 -44.42 96.71 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.586 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.4 mt -56.6 -41.72 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.6 t -77.52 -44.84 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.51 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -72.04 -36.0 69.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.895 0.379 . . . . 0.0 111.415 -173.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -67.49 -41.02 85.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.258 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.601 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 9.7 p -70.64 -38.77 73.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.629 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -58.14 -43.21 87.21 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.266 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -57.51 -49.02 77.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.421 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.548 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 78.1 mt-30 -53.68 -55.02 29.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.849 178.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.438 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -54.59 -48.39 72.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.088 -175.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.04 -41.24 92.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.118 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -74.13 -24.89 59.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.409 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 93.8 mt -74.77 -21.68 59.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.786 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.82 HD11 HG11 ' A' ' 31' ' ' VAL . 97.0 mt -78.85 147.03 69.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.9 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.19 156.03 52.93 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.849 2.366 . . . . 0.0 112.199 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 3.9 mm-40 -48.84 -44.32 39.4 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.579 -177.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -49.04 -52.79 23.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -37.1 57.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.478 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -61.74 -36.87 82.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.029 -174.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 75.3 mmtt -63.81 -47.99 78.67 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.007 0.432 . . . . 0.0 110.647 177.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.62 -42.53 97.03 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.07 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.88 -37.7 80.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.209 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 112' ' ' ARG . 91.2 t -71.86 -30.28 36.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.428 . . . . 0.0 111.066 -178.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 26.5 mm-40 -69.62 -27.94 65.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.869 -177.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.797 -178.5 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.778 0.323 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.24 165.33 11.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 175.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.531 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 47.0 mm -58.83 -37.42 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.358 -178.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -60.99 -45.43 94.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.573 0.225 . . . . 0.0 111.206 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.65 -37.18 82.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.757 0.313 . . . . 0.0 110.158 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.645 HD11 HG21 ' A' ' 96' ' ' VAL . 49.8 tp -60.94 -49.52 77.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 176.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 81.1 mt -59.75 -37.52 79.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.782 178.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.84 -39.12 76.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.495 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -65.66 -32.73 74.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.1 m -66.9 -15.34 63.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.173 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.406 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 2.8 mmt -83.15 -0.63 50.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.153 0.501 . . . . 0.0 110.168 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.16 9.36 39.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.445 0.64 . . . . 0.0 109.896 174.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -111.64 100.23 47.45 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.124 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.01 117.36 4.1 Favored 'Trans proline' 0 CA--C 1.527 0.153 0 C-N-CA 122.586 2.191 . . . . 0.0 112.739 -175.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.2 -24.47 14.2 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.301 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.37 132.03 35.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.72 0.295 . . . . 0.0 110.679 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -131.63 151.73 51.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.945 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.568 ' HG2' HG12 ' A' ' 29' ' ' ILE . 47.6 mt-30 -107.86 145.45 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.564 -174.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 p -153.41 126.9 8.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.666 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.9 p -80.5 126.94 39.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 175.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -104.48 138.0 41.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.702 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -78.91 87.38 4.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.486 -174.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.28 -71.7 0.47 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.61 172.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -152.87 67.42 0.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.491 0.662 . . . . 0.0 110.0 170.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.6 tttt 57.46 74.05 0.44 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.297 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.668 ' HB2' ' HD3' ' A' ' 40' ' ' LYS . . . -130.62 113.35 14.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.106 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.564 ' HB ' ' CG1' ' A' ' 39' ' ' VAL . 31.8 m -94.4 117.31 29.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HB3' HD11 ' A' ' 35' ' ' LEU . 72.0 mt-30 -102.52 134.48 45.79 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.446 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.568 HG12 ' HG2' ' A' ' 18' ' ' GLN . 37.0 mt -110.08 118.77 57.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.343 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -135.8 169.34 17.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.309 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -94.23 -137.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 170.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.736 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 5.8 mm-40 -65.11 -56.87 10.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.059 0.457 . . . . 0.0 110.766 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -126.21 -11.49 6.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.1 t -96.57 110.58 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.764 -172.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 28' ' ' GLN . 60.6 tp -88.21 130.83 34.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 172.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -132.7 -18.97 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.11 140.68 32.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.517 ' SD ' ' HE2' ' A' ' 40' ' ' LYS . 15.5 ttm -138.7 115.69 10.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.562 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.564 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 7.3 p -90.53 125.11 43.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.668 ' HD3' ' HB2' ' A' ' 26' ' ' ALA . 2.4 tppt? -145.09 129.02 17.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.907 -173.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 47.1 mt-10 -90.06 110.92 21.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.28 0.562 . . . . 0.0 111.013 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.453 HG13 ' HE2' ' A' ' 82' ' ' TYR . 4.0 p -121.6 139.74 47.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 173.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 66.28 17.0 10.62 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.673 0.749 . . . . 0.0 108.985 -169.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 60.65 25.59 15.33 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.492 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.53 136.47 22.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 169.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 17.6 Cg_endo -58.25 123.6 14.0 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.785 2.324 . . . . 0.0 111.709 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -144.56 144.29 31.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.639 -176.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.83 129.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.122 0.487 . . . . 0.0 110.913 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 14.9 m -94.82 128.36 41.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.862 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mp -98.48 157.65 16.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.387 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -62.87 -54.52 37.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.667 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 53' ' ' SER . 4.6 t -172.38 -64.87 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.667 176.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.988 ' HB2' ' HB2' ' A' ' 56' ' ' LEU . 8.9 m 66.88 132.71 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.559 0 CA-C-O 121.412 0.625 . . . . 0.0 112.003 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.44 -57.85 0.42 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.536 2.157 . . . . 0.0 112.837 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.04 -31.66 72.34 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.728 0.299 . . . . 0.0 110.941 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.988 ' HB2' ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -67.67 -38.35 83.63 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.843 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.513 ' O ' ' HD3' ' A' ' 61' ' ' ARG . . . -57.08 -43.68 82.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.381 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -62.0 -51.18 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.15 175.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.4 tt -52.61 -47.71 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.144 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 75.2 mt -63.97 -32.52 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 2.1 mpt_? -76.84 -27.45 55.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.272 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.15 -45.6 14.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.626 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.92 -155.41 0.35 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 123.27 0.356 . . . . 0.0 111.236 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 75.35 -68.17 0.22 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.421 0.688 . . . . 0.0 111.965 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.5 m -92.17 -36.65 13.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.75 0.309 . . . . 0.0 110.955 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.21 121.45 38.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.727 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.524 ' H ' HD21 ' A' ' 87' ' ' LEU . 93.0 t . . . . . 0 N--CA 1.469 0.491 0 CA-C-O 121.815 0.817 . . . . 0.0 112.654 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 121.398 0.618 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.491 ' HE1' ' HB3' ' A' ' 78' ' ' TRP . 6.7 p80 -95.11 -49.09 5.67 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.652 -175.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -147.28 -154.03 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -173.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -54.23 105.8 0.17 Allowed 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -71.99 -27.26 62.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.205 -173.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.25 21.07 3.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.199 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -145.7 -53.31 0.27 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 110.602 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.491 ' HB3' ' HE1' ' A' ' 72' ' ' HIS . 89.6 m95 -108.23 128.7 54.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.1 m -125.16 140.67 52.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.591 HG22 ' HB1' ' A' ' 47' ' ' ALA . 24.2 m -121.27 132.45 54.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.547 -172.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.6 t -90.46 113.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.512 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' HE2' HG13 ' A' ' 42' ' ' VAL . 32.8 m-85 -87.65 129.25 35.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.543 -176.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.9 50.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 169.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.48 -81.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.132 -172.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.55 21.87 0.48 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 16.2 m -146.64 -171.07 3.67 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.524 HD21 ' H ' ' A' ' 67' ' ' VAL . 95.6 mt 74.57 145.02 0.11 Allowed Pre-proline 0 CA--C 1.532 0.272 0 O-C-N 124.013 0.821 . . . . 0.0 111.375 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 3.0 Cg_exo -75.96 141.64 24.18 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.928 2.418 . . . . 0.0 112.471 -177.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.45 -38.2 89.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.422 0.629 . . . . 0.0 110.031 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 93' ' ' TYR . 12.8 m -60.88 -28.22 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.022 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.602 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 5.2 tp60 -63.92 -35.36 80.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.246 -178.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.4 mt -60.37 -40.19 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.443 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 99.8 m-85 -56.29 -45.41 80.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.905 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.61 -42.69 77.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 56' ' ' LEU . 71.4 mt -59.14 -46.69 87.71 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.396 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.645 HG21 HD11 ' A' ' 6' ' ' LEU . 59.7 t -68.68 -44.54 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 36.8 t70 -66.24 -42.35 88.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.354 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.14 72.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 111.216 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.454 ' HA ' ' NE2' ' A' ' 102' ' ' GLN . 41.7 m -69.61 -34.53 74.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 110.239 177.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.407 ' O ' HG23 ' A' ' 104' ' ' VAL . 55.3 t80 -73.04 -37.95 66.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.707 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 31.6 mm-40 -56.86 -44.04 81.79 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 111.046 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 99' ' ' SER . 42.8 mt-30 -56.08 -40.9 74.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.169 178.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.569 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.93 -41.12 95.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 100' ' ' TYR . 58.0 t -62.75 -32.41 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -76.76 -21.17 55.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.6 mt -88.83 -33.1 17.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.003 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 96.4 mt -63.75 135.23 96.19 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.357 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.545 ' HG2' ' HG2' ' A' ' 111' ' ' LYS . 38.1 Cg_endo -69.81 -173.59 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.921 2.414 . . . . 0.0 113.302 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -53.42 -54.18 40.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.32 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.22 -53.11 55.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.823 -174.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.736 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 26.4 mmmt -65.14 -52.19 56.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.021 -171.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 116' ' ' VAL . 33.2 mtp85 -53.22 -49.81 66.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.896 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -57.25 -44.2 83.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.672 0.272 . . . . 0.0 111.613 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.03 -47.97 64.11 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.738 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 75.3 mt -67.75 -27.57 66.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.165 -173.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 112' ' ' ARG . 78.3 t -77.02 -30.46 17.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.042 0.448 . . . . 0.0 110.885 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -70.57 -28.54 64.96 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.472 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.835 -174.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.38 148.09 45.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.252 0.345 . . . . 0.0 110.919 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.452 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 39.5 mm -62.22 -34.48 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -175.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 p -59.85 -51.4 69.87 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -176.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.57 -34.99 79.55 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.879 0.371 . . . . 0.0 110.524 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.28 -45.77 83.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.946 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 72.4 mt -61.55 -36.44 80.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.087 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -64.57 -43.85 92.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.26 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -60.77 -32.56 71.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.364 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.6 m -59.68 -46.87 87.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.298 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mtp -85.43 0.63 51.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.76 0.314 . . . . 0.0 111.716 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.57 -20.99 61.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.188 0.518 . . . . 0.0 109.693 175.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -87.03 122.22 71.24 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.639 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.13 127.49 25.29 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.1 2.533 . . . . 0.0 112.841 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 108.04 -27.89 13.35 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.717 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 123.73 24.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.255 0.55 . . . . 0.0 111.956 -175.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -123.6 129.17 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.956 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HG2' HG12 ' A' ' 29' ' ' ILE . 43.6 mt-30 -103.89 138.31 40.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.634 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 m -141.96 111.51 6.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.48 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.9 p -75.67 116.52 18.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.349 0.595 . . . . 0.0 110.254 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.66 120.42 24.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.695 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -74.54 96.06 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.806 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -159.15 -67.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.868 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -144.61 34.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.017 0.437 . . . . 0.0 110.776 177.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.0 mttt 65.27 77.65 0.3 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.069 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -133.94 105.75 6.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.115 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.637 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 26.0 m -92.43 117.22 29.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.927 0.394 . . . . 0.0 110.148 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.485 ' HB3' HD13 ' A' ' 35' ' ' LEU . 50.2 mt-30 -99.81 123.92 44.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.247 -177.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.527 HG12 ' HG2' ' A' ' 18' ' ' GLN . 14.3 mt -104.07 117.2 49.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -129.17 149.09 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.152 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.557 ' HB ' HD22 ' A' ' 115' ' ' LEU . 20.1 m -93.95 11.44 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.372 0.606 . . . . 0.0 110.727 177.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 174.8 -82.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -142.69 16.02 1.97 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 166.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.06 103.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 114.398 -1.273 . . . . 0.0 109.735 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 28' ' ' GLN . 55.9 tp -81.61 110.5 17.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.58 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -95.15 -39.85 9.9 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.026 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.24 160.91 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.469 0.176 . . . . 0.0 110.67 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.458 ' CE ' HD21 ' A' ' 35' ' ' LEU . 17.4 ptp -148.38 150.61 33.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.435 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 7.6 p -110.7 133.96 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.159 0.504 . . . . 0.0 109.655 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.678 ' HE2' HD11 ' A' ' 73' ' ' LEU . 9.3 mtmp? -136.0 142.46 44.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 -177.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -99.03 111.29 23.73 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.89 144.79 27.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 65.05 21.4 12.25 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -173.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 65.4 20.6 11.8 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.404 -175.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -118.91 129.76 25.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.374 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.43 107.74 1.67 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.208 1.939 . . . . 0.0 110.928 172.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -124.45 152.25 43.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.996 -175.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -115.99 141.34 33.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.365 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 79' ' ' SER . 67.2 m -115.45 124.71 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.925 0.393 . . . . 0.0 110.806 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -112.82 172.76 6.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.331 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -89.06 -176.7 5.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.781 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 t -77.99 77.59 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.775 0.798 . . . . 0.0 110.897 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.768 ' HB2' HD23 ' A' ' 56' ' ' LEU . 15.6 m -89.5 152.73 47.67 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.634 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.3 -56.69 2.57 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.277 2.651 . . . . 0.0 113.645 -177.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.83 -32.71 72.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.697 0.284 . . . . 0.0 111.146 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.768 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -70.27 -38.26 75.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.786 0.327 . . . . 0.0 110.574 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.48 87.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.343 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -68.46 -47.13 67.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.28 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.54 -42.04 67.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.731 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.27 -36.97 66.68 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 111.614 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -77.32 -49.09 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.492 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -78.23 -40.41 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -172.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -120.23 93.2 3.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.067 0.46 . . . . 0.0 109.903 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -117.14 2.72 12.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.286 0.565 . . . . 0.0 110.255 -173.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.7 m -84.85 33.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.922 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -166.0 -59.84 0.03 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 111.06 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.563 HG12 HG22 ' A' ' 81' ' ' VAL . 17.6 m . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.82 -176.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 . . . . . 0 CA--C 1.531 0.227 0 CA-C-O 121.175 0.512 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -31.21 63.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.252 178.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.678 HD11 ' HE2' ' A' ' 40' ' ' LYS . 87.4 mt -108.76 -25.17 10.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.874 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.8 t30 75.67 139.72 0.07 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.991 0.917 . . . . 0.0 110.745 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -53.43 -57.73 9.63 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -169.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.91 23.71 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -118.82 -58.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 91.6 m95 -135.68 148.06 48.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.5 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 49' ' ' SER . 35.6 t -125.67 131.89 52.53 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.5 m -106.74 116.25 31.6 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.544 -171.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.563 HG22 HG12 ' A' ' 67' ' ' VAL . 43.2 t -95.72 126.34 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.743 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -95.87 124.0 39.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.052 0.453 . . . . 0.0 110.52 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.2 57.96 2.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.698 0.761 . . . . 0.0 110.777 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -89.49 -23.58 22.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.121 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.12 -0.58 6.09 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.602 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -67.61 -40.16 84.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 0.0 110.739 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.74 145.85 30.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.887 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.91 163.17 38.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.609 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.43 -38.09 88.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.348 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -60.93 -27.76 68.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.395 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.569 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 51.4 tp60 -62.83 -32.91 74.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.621 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.39 -41.19 88.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.29 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -59.92 -44.19 94.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.855 0.359 . . . . 0.0 110.971 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -62.29 -42.92 99.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.214 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 88.2 mt -55.63 -42.12 74.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.607 -176.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.53 -46.21 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.673 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -69.37 -37.93 77.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.767 0.318 . . . . 0.0 111.087 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.55 -34.79 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -177.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 p -73.09 -38.42 66.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.609 0.242 . . . . 0.0 110.877 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.471 ' O ' HG23 ' A' ' 104' ' ' VAL . 85.8 t80 -66.27 -45.23 81.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.1 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -54.6 45.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.857 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.33 -35.44 75.63 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.704 -175.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.0 -41.08 97.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 100' ' ' TYR . 59.0 t -64.5 -30.5 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -75.03 -23.7 58.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.64 -16.4 27.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.499 -175.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 HD11 ' A' ' 115' ' ' LEU . 90.9 mt -88.03 144.39 34.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.304 -176.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.59 168.14 20.72 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.891 2.394 . . . . 0.0 112.323 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.532 ' OE1' ' HE3' ' A' ' 113' ' ' LYS . 7.0 tp10 -54.12 -44.33 71.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.497 -176.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -48.62 -50.47 32.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.308 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.611 ' HE3' ' HA ' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -75.8 -41.79 51.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.006 0.431 . . . . 0.0 110.622 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.443 HH21 ' CD ' ' A' ' 109' ' ' GLU . 50.7 ttp180 -56.44 -39.37 73.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.737 -178.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 9.8 mmpt? -63.44 -48.06 79.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.967 0.413 . . . . 0.0 110.384 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 38.4 mt -63.9 -38.23 90.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.928 -176.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 77.4 mt -57.18 -37.59 72.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.061 0.457 . . . . 0.0 111.05 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 28.4 t -76.27 -28.34 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.444 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 31.5 mm-40 -75.1 -28.98 60.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.681 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 93.7 mt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.54 -0.743 . . . . 0.0 111.127 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.931 0.396 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.5 p -85.75 171.38 11.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.678 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 49.2 mm -60.9 -42.25 91.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.007 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.7 t -61.01 -36.87 80.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.874 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.15 -42.93 75.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.477 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.441 HD11 HG21 ' A' ' 96' ' ' VAL . 43.6 tp -62.79 -45.78 91.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.497 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 81.9 mt -59.91 -36.69 77.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.888 178.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 8' ' ' GLN . 6.9 tp60 -67.26 -40.25 86.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.808 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.46 -33.43 75.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 110.305 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.97 -31.61 71.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.325 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 4.0 mmt -70.06 -27.17 64.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.52 59.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.858 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -96.69 116.44 66.1 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.968 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.83 117.19 4.3 Favored 'Trans proline' 0 CA--C 1.527 0.171 0 C-N-CA 122.725 2.284 . . . . 0.0 112.932 -176.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.08 39.24 2.17 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.574 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.63 118.06 18.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.865 0.365 . . . . 0.0 110.985 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -113.09 140.71 47.64 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -114.41 120.61 40.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.15 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -126.11 108.9 11.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.05 121.06 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.327 0.584 . . . . 0.0 110.819 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.59 141.24 37.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.652 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -87.55 58.17 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -169.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -112.5 -51.06 2.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.646 171.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -111.39 4.12 18.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.2 tttt 63.11 28.38 16.03 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 122.388 1.09 . . . . 0.0 108.595 -169.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.7 119.42 22.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.357 -175.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.428 ' HB ' ' CG1' ' A' ' 39' ' ' VAL . 28.3 m -85.33 116.4 23.64 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 171.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -103.63 124.49 48.93 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.309 -172.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.1 mt -102.65 121.59 53.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.205 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.584 ' HB3' HD23 ' A' ' 35' ' ' LEU . 22.6 pttp -154.0 170.34 21.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.377 -173.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.486 HG23 ' HB ' ' A' ' 34' ' ' VAL . 2.0 t -78.94 -137.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 168.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -53.19 -57.0 11.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.475 0.58 . . . . 0.0 109.741 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -152.0 26.42 0.63 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.658 0.742 . . . . 0.0 109.864 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.486 ' HB ' HG23 ' A' ' 31' ' ' VAL . 57.3 t -98.29 110.99 26.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.006 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 30' ' ' LYS . 64.5 mt -86.32 128.0 34.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.277 0.56 . . . . 0.0 112.295 -175.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.511 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 51.3 p90 -134.11 -10.13 2.61 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.354 174.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.11 158.23 16.5 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -175.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.691 ' HG3' ' HB2' ' A' ' 49' ' ' SER . 10.2 ptp -154.06 147.6 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.692 174.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.428 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 11.4 p -127.36 137.73 56.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.923 0.392 . . . . 0.0 110.423 177.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -138.6 171.66 14.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.649 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -123.77 135.77 54.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 43' ' ' GLU . 3.7 p -139.07 128.4 30.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.544 ' HG3' HG22 ' A' ' 42' ' ' VAL . 40.3 mt-10 63.05 30.17 16.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.737 -175.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.5 t30 63.59 20.77 12.41 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.85 0.833 . . . . 0.0 110.213 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 45' ' ' ARG . 15.3 mtp180 -119.53 123.46 28.63 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.383 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 83' ' ' LEU . 30.7 Cg_endo -63.99 141.5 77.47 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.75 2.3 . . . . 0.0 112.677 -176.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.12 137.96 36.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.102 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -115.2 147.17 18.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.691 ' HB2' ' HG3' ' A' ' 38' ' ' MET . 17.0 m -139.97 117.92 11.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.976 0.417 . . . . 0.0 110.984 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 95' ' ' LEU . 7.0 mp -98.92 167.03 11.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.71 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' ' 52' ' ' THR . 49.1 tttm -68.42 169.96 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.427 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 2.7 p -71.48 76.53 0.78 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.301 0.572 . . . . 0.0 110.853 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.6 ' HB2' HD23 ' A' ' 56' ' ' LEU . 33.3 m -82.86 147.01 53.72 Favored Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.017 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.14 -53.93 4.72 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.84 2.36 . . . . 0.0 111.963 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.89 -33.25 73.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.49 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.6 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.6 mm? -68.33 -44.99 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.881 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.7 91.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.145 0.498 . . . . 0.0 110.404 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.76 -41.07 90.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.178 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.56 -51.43 59.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.634 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.34 -30.48 70.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.751 0.31 . . . . 0.0 111.562 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.89 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -73.1 -35.87 66.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.136 -179.343 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.62 -49.64 7.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.782 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -100.45 116.52 32.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.265 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -60.82 -34.36 74.42 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.3 m 63.61 -173.11 0.16 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.829 171.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -130.76 83.99 2.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.854 -174.243 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -63.44 -38.44 91.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.996 0.427 . . . . 0.0 110.421 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.2 mt -81.15 145.79 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.412 ' ND2' ' H ' ' A' ' 76' ' ' ALA . 11.6 t30 -84.96 136.47 33.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.886 0.374 . . . . 0.0 110.662 -176.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.25 -29.89 66.13 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.734 -173.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.412 ' H ' ' ND2' ' A' ' 74' ' ' ASN . . . -76.23 17.27 0.37 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.52 -61.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 0.0 110.467 175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.405 ' HH2' ' HB3' ' A' ' 35' ' ' LEU . 79.0 m95 -136.52 163.97 29.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.64 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 m -125.84 126.72 44.95 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 173.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.0 m -102.28 114.56 28.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.342 -172.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -102.83 116.2 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.603 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -75.43 128.96 36.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.551 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 80.2 mt -79.21 63.21 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 172.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -137.52 -42.24 0.55 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.838 -171.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.21 62.49 4.12 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.435 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.1 t 73.34 -90.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.538 0.735 . . . . 0.0 110.68 -176.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 48.91 80.69 0.28 Allowed Pre-proline 0 N--CA 1.464 0.255 0 C-N-CA 122.853 0.461 . . . . 0.0 112.182 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.614 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 18.7 Cg_endo -60.24 142.29 97.88 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.349 2.033 . . . . 0.0 111.815 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.9 -19.29 65.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.423 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -62.8 -31.12 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.614 ' HG2' ' HG2' ' A' ' 88' ' ' PRO . 15.1 mm100 -72.3 -46.31 56.28 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.096 0.474 . . . . 0.0 109.8 177.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.6 mt -59.03 -39.7 78.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.775 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -54.53 -42.02 70.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.901 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -77.6 -35.74 52.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.963 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 91.1 mt -58.95 -42.4 89.72 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.252 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.441 HG21 HD11 ' A' ' 6' ' ' LEU . 86.3 t -63.18 -43.22 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.13 0.49 . . . . 0.0 110.841 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.63 -39.62 77.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.992 0.425 . . . . 0.0 110.741 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.27 88.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.617 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.511 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 13.3 p -69.32 -34.54 74.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.642 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.09 -41.52 81.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.67 0.272 . . . . 0.0 111.169 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -53.66 55.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.581 -178.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -59.99 -33.23 71.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.433 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -63.78 -42.09 97.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.748 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.46 -36.5 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -68.32 -27.51 66.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.738 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.1 mt -86.68 -8.73 57.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.181 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 95.5 mt -85.79 137.39 35.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.812 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 26.0 Cg_exo -63.84 158.75 45.24 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.8 2.333 . . . . 0.0 111.848 176.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 6.0 tp10 -50.54 -46.66 57.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.684 -176.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -48.62 -50.74 31.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.532 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.97 -44.07 90.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.854 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 109' ' ' GLU . 20.0 mtm180 -60.37 -40.26 90.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.473 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 11.3 mmpt? -59.96 -46.62 88.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.338 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.71 -46.35 87.52 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.493 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.32 -29.98 70.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.903 -177.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 112' ' ' ARG . 99.1 t -79.1 -36.62 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 111.059 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.88 -28.86 67.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 99.5 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.751 -0.643 . . . . 0.0 110.391 -179.419 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.449 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 48.3 ttp . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p -75.58 165.97 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.455 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 50.2 mm -59.66 -35.06 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.763 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.3 t -60.41 -40.37 90.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.384 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 31.8 mt-10 -69.91 -39.04 76.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 96' ' ' VAL . 2.9 tm? -63.54 -45.27 91.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.022 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 84.3 mt -59.83 -40.21 87.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.555 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -63.15 -42.09 99.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.596 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -61.86 -36.21 80.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.1 m -73.3 -17.37 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.178 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.417 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 1.5 mmt -79.92 -10.7 59.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.064 0.459 . . . . 0.0 110.542 178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.522 ' O ' ' HD3' ' A' ' 14' ' ' PRO . . . -87.11 0.85 54.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.307 176.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -103.04 96.79 8.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.417 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 12' ' ' ALA . 15.7 Cg_exo -68.28 100.05 0.63 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.7 2.266 . . . . 0.0 111.838 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.56 -20.05 2.4 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.355 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.61 119.03 31.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.723 0.297 . . . . 0.0 110.649 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.01 132.37 52.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.945 0.402 . . . . 0.0 110.182 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.539 ' HG2' HG12 ' A' ' 29' ' ' ILE . 71.6 mt-30 -109.86 122.19 46.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.582 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -128.17 150.42 50.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.341 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.66 123.76 42.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.262 0.554 . . . . 0.0 110.508 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.415 ' ND1' ' HB3' ' A' ' 23' ' ' ASP . 11.7 t-80 -87.06 113.42 22.8 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -76.64 55.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.056 0.931 . . . . 0.0 110.769 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 27.6 t70 -155.76 101.74 2.16 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.548 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 18.8 m95 78.89 -5.24 2.04 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.396 1.06 . . . . 0.0 110.433 -170.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt 51.74 78.62 0.12 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.69 0.757 . . . . 0.0 110.269 -175.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' ' 40' ' ' LYS . . . -127.06 148.0 50.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.517 -177.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.469 ' HB ' ' CG2' ' A' ' 39' ' ' VAL . 23.9 m -93.1 118.44 31.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.0 0.429 . . . . 0.0 110.431 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -95.27 114.63 26.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.759 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.539 HG12 ' HG2' ' A' ' 18' ' ' GLN . 45.4 mt -102.69 108.33 23.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' NZ ' ' HA ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -136.06 150.52 49.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -177.22 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 107' ' ' LEU . 1.9 t -79.69 -134.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' HG3' ' CG ' ' A' ' 111' ' ' LYS . 20.1 mm-40 -52.43 -67.33 0.26 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.168 0.509 . . . . 0.0 110.49 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.558 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 24.0 t0 -147.65 36.13 0.87 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.764 0.793 . . . . 0.0 110.279 176.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.9 t -116.87 99.16 7.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.624 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.8 tp -84.34 97.86 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -96.47 -24.89 15.88 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.851 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.77 123.39 12.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.248 0.547 . . . . 0.0 111.878 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.6 ttt -125.82 114.68 18.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.46 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.469 ' CG2' ' HB ' ' A' ' 27' ' ' THR . 27.4 m -97.09 142.5 14.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.598 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -153.16 104.16 2.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.013 0.435 . . . . 0.0 110.816 -176.312 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 2.4 mp0 -92.13 117.62 30.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.473 0.654 . . . . 0.0 111.257 -177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 2.7 p -96.9 110.31 24.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.516 176.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 61.04 26.63 16.56 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 -177.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.6 t30 75.42 22.4 1.66 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.467 0.707 . . . . 0.0 110.698 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -85.56 107.56 12.9 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 167.072 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.751 ' HB2' ' HG ' ' A' ' 83' ' ' LEU . 24.6 Cg_exo -62.81 124.73 14.59 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.036 2.49 . . . . 0.0 112.401 -174.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.93 121.04 10.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.321 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.77 125.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.282 0.563 . . . . 0.0 110.43 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 79' ' ' SER . 6.9 m -100.94 115.57 30.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.653 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -98.68 155.77 17.16 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -80.47 36.57 0.37 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.686 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.5 m 67.49 106.01 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.408 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.834 ' HB2' HD23 ' A' ' 56' ' ' LEU . 14.7 m -126.61 147.49 60.85 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.195 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.09 -64.94 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.535 2.823 . . . . 0.0 113.923 -174.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.92 -30.09 61.1 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.834 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -63.53 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.798 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -73.17 -42.46 62.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 1.6 mp0 -61.89 -43.24 99.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.582 176.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.6 -51.04 68.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.853 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.734 ' HB2' HG11 ' A' ' 67' ' ' VAL . 3.6 pp -67.25 -31.15 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.86 -176.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 3.0 mpt_? -61.68 -38.29 87.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.068 177.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 58' ' ' GLU . 29.4 mm-40 -89.73 -45.99 8.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 -175.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.52 -51.63 54.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -174.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 62.41 -159.71 0.31 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -173.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t 70.12 -81.73 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 170.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 86' ' ' SER . 2.7 t70 -92.85 -8.32 43.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.664 0.268 . . . . 0.0 111.678 -167.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.734 HG11 ' HB2' ' A' ' 60' ' ' LEU . 41.4 t . . . . . 0 C--N 1.324 -0.523 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.241 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.909 0.861 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.537 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 23.6 p80 -90.15 -29.03 18.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.9 175.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 72' ' ' HIS . 56.6 mt -165.78 -55.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -143.67 150.12 38.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.353 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -71.04 -61.34 1.8 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.148 0.28 . . . . 0.0 111.361 -177.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 77' ' ' HIS . . . -113.84 93.73 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 76' ' ' ALA . 5.5 t-80 175.69 -48.41 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 172.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.494 ' HB2' ' HE1' ' A' ' 72' ' ' HIS . 96.7 m95 -112.64 145.06 41.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.096 -0.957 . . . . 0.0 108.764 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' SER . 33.6 t -125.01 132.97 53.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.4 m -122.89 119.92 31.92 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.647 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.457 ' O ' HD23 ' A' ' 83' ' ' LEU . 49.0 t -90.99 104.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.8 176.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -79.08 93.54 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.751 ' HG ' ' HB2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -79.08 82.75 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.658 0.742 . . . . 0.0 111.585 -174.632 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -89.52 -34.86 16.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.506 174.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.46 32.02 0.17 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.162 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.906 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -88.95 -64.55 1.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.626 -175.35 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.906 HD22 ' HB2' ' A' ' 86' ' ' SER . 2.3 mm? -111.97 138.65 21.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.856 -176.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 5.7 Cg_exo -78.66 174.32 12.45 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.027 2.484 . . . . 0.0 112.394 175.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.64 -55.74 12.61 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.34 0.656 . . . . 0.0 111.863 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 93' ' ' TYR . 11.9 m -58.7 -34.13 70.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.467 -174.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 87' ' ' LEU . 22.9 tp60 -70.08 -32.82 71.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.405 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 88' ' ' PRO . 56.8 mt -67.2 -42.45 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.885 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 91.3 m-85 -57.57 -40.94 80.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.308 0.575 . . . . 0.0 110.061 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.05 -41.99 94.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.931 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 92.6 mt -68.61 -44.3 74.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.481 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.824 HG21 HD21 ' A' ' 6' ' ' LEU . 93.1 t -66.24 -41.79 89.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 111.06 -178.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -37.26 79.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.6 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.68 77.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.242 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.448 ' HA ' HE21 ' A' ' 102' ' ' GLN . 6.5 p -64.97 -31.57 72.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.972 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.51 ' O ' HG23 ' A' ' 104' ' ' VAL . 83.5 t80 -73.63 -43.4 59.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.274 175.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -45.0 93.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.897 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' A' ' 99' ' ' SER . 29.7 pt20 -61.42 -31.64 71.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.773 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -74.95 -28.83 60.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.812 0.339 . . . . 0.0 111.334 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.526 HG13 HD13 ' A' ' 115' ' ' LEU . 93.9 t -70.02 -42.0 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.794 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' A' ' 102' ' ' GLN . 10.9 p30 -73.97 -16.16 61.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 111.076 -177.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 93.0 mt -87.35 -5.97 58.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.98 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.507 HD11 HG11 ' A' ' 31' ' ' VAL . 92.6 mt -83.97 139.22 39.87 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 0.0 111.146 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.468 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 20.4 Cg_exo -66.58 -179.31 1.53 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.186 2.591 . . . . 0.0 113.112 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.635 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 12.5 tp10 -54.12 -57.65 10.32 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.773 -174.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -52.41 -47.76 66.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.364 0.602 . . . . 0.0 111.635 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.53 ' CG ' ' HG3' ' A' ' 32' ' ' GLU . 3.9 mptp? -62.65 -43.52 98.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.709 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 116' ' ' VAL . 40.5 mtt180 -62.98 -27.79 69.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.288 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 7.5 mmpt? -61.34 -50.03 74.56 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.148 0.499 . . . . 0.0 110.024 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.46 -42.4 96.11 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.483 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.526 HD13 HG13 ' A' ' 104' ' ' VAL . 98.4 mt -62.03 -26.62 68.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.682 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 112' ' ' ARG . 66.8 t -83.11 -36.87 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.895 0.378 . . . . 0.0 110.26 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -62.65 -44.21 96.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.256 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.014 -177.405 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ppp? . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.5 p -96.25 130.11 43.41 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.242 0.544 . . . . 0.0 111.313 -176.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.555 HG13 ' HB3' ' A' ' 46' ' ' PRO . 44.4 mm -70.68 -22.12 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.868 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.6 m -51.65 -47.8 63.63 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.022 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -77.96 -35.4 50.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.342 . . . . 0.0 110.81 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.89 -43.47 98.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.189 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 tt -62.8 -45.99 90.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.288 -179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -61.8 -37.32 83.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.244 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -63.94 -32.63 74.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.853 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.3 m -68.73 -26.88 65.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.995 0.426 . . . . 0.0 110.446 177.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.9 mtp -80.1 -10.06 59.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.572 178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.15 -0.88 57.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.399 177.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -90.38 117.3 67.91 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.85 113.18 1.88 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.884 2.389 . . . . 0.0 113.275 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.39 -10.07 17.12 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.54 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.69 127.12 39.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.078 0.466 . . . . 0.0 111.542 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -124.3 156.13 37.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 176.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -89.96 120.97 31.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.764 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -112.19 104.67 12.88 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.9 p -91.98 125.34 44.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.281 0.562 . . . . 0.0 110.98 -176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.29 111.11 22.45 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -77.77 79.01 4.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.343 0.592 . . . . 0.0 111.772 -171.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' HB2' ' HD1' ' A' ' 24' ' ' TRP . 10.0 m-20 -136.88 -69.11 0.47 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 171.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.41 ' HD1' ' HB2' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -119.27 21.05 12.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.792 -1.095 . . . . 0.0 109.126 171.314 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 62.19 40.3 11.82 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 114.527 -1.215 . . . . 0.0 112.547 177.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.62 120.93 14.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 171.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.3 m -100.68 117.57 35.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.135 0.493 . . . . 0.0 111.038 -176.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -94.08 121.95 36.1 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.4 mt -97.6 107.98 20.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.689 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 20.3 pttp -153.63 168.43 26.24 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.526 -174.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.48 HG21 HD21 ' A' ' 107' ' ' LEU . 27.5 m -88.96 -146.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.544 176.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -49.21 -51.94 29.91 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -154.23 18.4 0.49 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.141 0.496 . . . . 0.0 111.379 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.464 ' HB ' HG22 ' A' ' 31' ' ' VAL . 54.2 t -108.26 106.55 20.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.836 0.351 . . . . 0.0 110.447 179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.689 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 59.0 tp -94.83 121.08 36.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.512 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 46.5 p90 -110.83 -29.27 8.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.494 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.6 144.08 19.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.815 0.341 . . . . 0.0 111.123 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -140.27 136.19 33.05 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.635 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.1 p -102.36 134.46 43.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.004 0.431 . . . . 0.0 110.721 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.519 ' NZ ' ' HB2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -150.17 119.76 6.98 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 -178.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.522 ' OE2' ' HA ' ' A' ' 46' ' ' PRO . 1.0 OUTLIER -83.08 114.47 21.32 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.299 0.571 . . . . 0.0 111.127 -179.402 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 7.8 p -117.5 143.43 28.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 42' ' ' VAL . 51.4 mt-10 66.27 15.52 10.12 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 -171.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.9 t30 67.6 11.49 8.4 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.167 -172.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.476 ' HD2' ' OD1' ' A' ' 84' ' ' ASP . 48.1 mtm180 -106.8 133.54 20.22 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.929 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.608 ' HB2' ' HB2' ' A' ' 83' ' ' LEU . 48.1 Cg_exo -57.15 134.52 64.74 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.806 2.337 . . . . 0.0 112.621 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.94 127.56 9.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.453 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -114.93 136.81 50.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 -175.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 79' ' ' SER . 9.6 t -111.13 115.83 30.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.933 -179.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.548 HD23 ' HB3' ' A' ' 99' ' ' SER . 6.7 mp -99.0 155.96 17.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.635 178.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -78.42 167.73 20.88 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 175.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -43.01 111.77 0.3 Allowed 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.629 0.58 . . . . 0.0 112.073 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.634 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . 39.3 t -129.66 139.04 34.49 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.074 -178.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 76.9 Cg_exo -50.28 -63.92 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.091 2.528 . . . . 0.0 112.851 -178.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.74 -34.32 78.04 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.634 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 4.4 mm? -65.76 -41.55 91.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.692 0.282 . . . . 0.0 110.57 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.57 68.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.394 176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 54' ' ' PRO . 26.0 mm-40 -61.14 -41.36 96.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.066 177.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.2 tp -52.75 -37.65 59.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.896 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.587 HD13 ' HG2' ' A' ' 69' ' ' PRO . 65.8 tp -71.15 -34.01 70.6 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.541 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 61' ' ' ARG . 4.6 mpt_? -75.58 -49.56 18.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.917 0.389 . . . . 0.0 110.999 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -76.55 -51.63 11.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.958 -174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -108.0 154.57 21.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.991 0.424 . . . . 0.0 110.299 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -139.62 158.49 44.03 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 121.036 -0.266 . . . . 0.0 110.796 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 m 62.77 -163.87 0.26 Allowed 'General case' 0 CA--C 1.535 0.404 0 O-C-N 123.689 0.618 . . . . 0.0 111.796 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.2 t70 72.45 -81.3 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.455 0.702 . . . . 0.0 111.949 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 p -75.85 -31.93 23.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.017 0.437 . . . . 0.0 110.115 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 62.24 88.62 0.12 Allowed Pre-proline 0 N--CA 1.465 0.283 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.84 177.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.587 ' HG2' HD13 ' A' ' 60' ' ' LEU . 13.8 Cg_exo -70.75 106.84 1.92 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.251 1.968 . . . . 0.0 109.709 167.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.9 p -117.1 168.9 9.87 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.0 0.429 . . . . 0.0 111.805 -169.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -101.05 72.88 1.49 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.228 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -94.95 -28.09 15.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 173.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.5 mt -121.33 -66.0 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.323 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.569 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 39.6 t-20 -166.06 120.26 1.16 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -86.3 -26.87 24.7 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.351 0.501 . . . . 0.0 112.351 -169.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.9 -30.44 12.38 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.807 -176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -93.51 -21.85 19.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.01 0.434 . . . . 0.0 110.776 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.569 ' HD1' ' HB3' ' A' ' 74' ' ' ASN . 86.7 m95 -131.2 168.66 17.11 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 49' ' ' SER . 14.5 m -136.87 125.76 24.18 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.9 m -106.5 114.55 28.73 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.168 0.509 . . . . 0.0 110.733 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 51.3 t -98.13 115.01 37.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.8 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -72.01 99.6 2.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.939 175.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.608 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . 89.1 mt -69.0 -40.0 79.0 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.61 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.476 ' OD1' ' HD2' ' A' ' 45' ' ' ARG . 15.9 t70 68.42 -57.26 0.49 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.095 0.872 . . . . 0.0 112.983 171.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 135.17 -33.95 2.38 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -174.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.9 t -85.73 -3.44 58.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.61 -0.295 . . . . 0.0 111.341 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.82 136.56 54.74 Favored Pre-proline 0 C--O 1.238 0.463 0 CA-C-O 120.732 0.301 . . . . 0.0 110.479 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.65 142.19 63.22 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.989 2.459 . . . . 0.0 112.675 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.443 ' HB2' ' CE2' ' A' ' 93' ' ' TYR . 6.7 p-10 -65.19 -30.18 71.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.852 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -51.12 -48.38 61.77 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.652 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.422 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 36.2 tt0 -73.27 -40.38 64.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.939 -177.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 96' ' ' VAL . 63.3 mt -61.6 -45.09 99.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.022 -174.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.443 ' CE2' ' HB2' ' A' ' 89' ' ' ASP . 29.7 m-85 -58.41 -41.21 84.47 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.944 -179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -66.02 -37.92 87.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.729 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 93.9 mt -65.25 -39.23 92.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.914 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 92' ' ' ILE . 99.1 t -60.72 -52.41 61.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.788 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.479 ' HA ' ' HB3' ' A' ' 100' ' ' TYR . 2.1 m-20 -66.76 -28.98 68.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.54 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -59.42 -50.58 73.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.776 0.322 . . . . 0.0 110.503 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.548 ' HB3' HD23 ' A' ' 50' ' ' LEU . 5.3 p -71.56 -34.49 70.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.096 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.479 ' HB3' ' HA ' ' A' ' 97' ' ' ASP . 39.8 t80 -63.8 -43.2 97.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.731 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -44.59 90.59 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 22.6 mt-30 -58.36 -44.4 88.8 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.137 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.56 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -57.18 -44.66 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 -178.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.81 -38.66 82.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.743 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -68.81 -29.52 67.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 98.7 mt -84.46 -5.23 59.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.594 -177.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 87.9 mt -86.71 137.88 33.65 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.659 0.266 . . . . 0.0 110.789 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.499 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 26.4 Cg_exo -64.03 175.02 3.42 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.94 2.427 . . . . 0.0 112.173 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 8.2 tp10 -54.85 -51.49 65.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.102 -175.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -48.8 -49.47 38.72 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.749 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.499 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 4.3 mptp? -69.34 -47.14 65.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.358 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 116' ' ' VAL . 79.2 mtp180 -59.76 -41.39 90.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.696 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.542 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 75.8 mmtt -56.65 -34.31 67.2 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.739 0.304 . . . . 0.0 111.36 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.6 mt -70.41 -47.65 59.81 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.24 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 52.8 mt -65.85 -26.9 67.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.678 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 112' ' ' ARG . 92.3 t -66.16 -28.54 44.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.169 0.509 . . . . 0.0 110.821 179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.468 ' HA ' ' OE1' ' A' ' 117' ' ' GLN . 11.3 mm-40 -75.35 -28.9 59.75 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.543 -179.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.3 mt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.814 -0.613 . . . . 0.0 111.209 -175.638 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 58.0 ttp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.906 0.384 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.38 -176.51 3.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.809 177.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.508 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 82.2 mt -57.51 -44.84 85.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -173.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.2 m -62.91 -42.49 99.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.519 0.199 . . . . 0.0 111.239 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.498 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 2.1 mp0 -66.27 -36.77 83.84 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 178.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.55 HD11 HG21 ' A' ' 96' ' ' VAL . 43.2 tp -63.59 -45.09 91.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.031 178.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 87.8 mt -61.66 -42.96 99.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.316 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.66 -45.16 92.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.48 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -62.41 -42.42 99.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.865 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.9 m -71.11 -13.61 62.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.353 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.514 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 3.8 mmt -85.17 -36.97 20.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 110.058 175.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' HD3' ' A' ' 14' ' ' PRO . . . -75.26 -11.27 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.092 175.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -99.41 101.31 12.68 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.393 -0.822 . . . . 0.0 109.759 176.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 12' ' ' ALA . 37.7 Cg_exo -60.39 156.84 38.87 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.244 2.629 . . . . 0.0 113.087 -174.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.35 -36.04 3.94 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.851 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.27 126.4 32.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.241 0.543 . . . . 0.0 110.896 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -119.77 138.76 53.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.159 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -106.03 125.45 51.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -175.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.1 m -115.27 118.92 34.63 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.065 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.9 p -138.08 135.37 45.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.408 0.623 . . . . 0.0 111.671 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -114.78 128.78 56.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.712 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -79.95 67.83 5.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.638 0.732 . . . . 0.0 110.648 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -105.34 -69.05 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 171.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -117.01 -4.39 11.5 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 166.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt 70.6 96.93 0.07 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.131 -1.395 . . . . 0.0 112.767 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' HA ' ' HA ' ' A' ' 40' ' ' LYS . . . -127.69 101.35 6.34 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.748 172.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.558 ' HB ' HG23 ' A' ' 39' ' ' VAL . 20.8 m -81.18 116.95 21.33 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.024 0.44 . . . . 0.0 110.285 -175.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -99.28 121.14 40.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.467 -176.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mt -99.58 111.43 29.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -132.84 169.51 16.63 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.809 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.471 HG12 ' OE1' ' A' ' 32' ' ' GLU . 1.9 t -83.75 -135.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 170.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' OE1' HG12 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -54.43 -62.54 1.59 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.051 0.453 . . . . 0.0 110.098 172.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -137.94 3.61 2.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.573 0.701 . . . . 0.0 110.219 175.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 38.7 t -86.74 101.71 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.738 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.5 tp -84.76 123.23 30.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.86 176.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 12.4 p90 -112.3 -33.93 6.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.712 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.72 156.33 27.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.275 -179.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -146.85 141.83 27.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.959 0.409 . . . . 0.0 111.24 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.558 HG23 ' HB ' ' A' ' 27' ' ' THR . 4.1 m -99.28 109.9 25.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.872 175.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 26' ' ' ALA . 33.1 pttt -103.5 123.74 47.45 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.087 -175.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.53 110.64 15.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 p -122.96 113.6 38.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.696 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 62.85 27.19 15.92 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.9 t30 69.35 -0.69 2.45 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.602 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -95.13 133.68 25.82 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.915 0.388 . . . . 0.0 110.239 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.65 ' HG2' ' HB2' ' A' ' 83' ' ' LEU . 38.2 Cg_endo -66.4 117.07 4.42 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 123.179 2.586 . . . . 0.0 113.685 -173.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 40' ' ' LYS . . . -125.63 128.66 48.22 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.543 172.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.682 HG11 HD13 ' A' ' 95' ' ' LEU . 13.4 p -115.57 147.47 18.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 120.929 0.395 . . . . 0.0 110.498 -176.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' A' ' 79' ' ' SER . 71.1 m -128.29 124.88 37.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 50' ' ' LEU . 5.0 mp -106.27 146.66 30.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.597 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -59.33 -49.23 78.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.924 0.392 . . . . 0.0 110.442 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.3 t -173.9 143.01 0.92 Allowed 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.281 177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.638 ' HB2' ' HB2' ' A' ' 56' ' ' LEU . 54.3 m -157.29 135.47 7.43 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.981 177.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.47 -57.48 0.87 Allowed 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.921 2.414 . . . . 0.0 113.21 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -68.63 -34.57 75.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.543 0.211 . . . . 0.0 110.998 -176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -63.77 -39.86 95.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.698 0.285 . . . . 0.0 110.679 178.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.526 ' O ' ' HD2' ' A' ' 61' ' ' ARG . . . -68.47 -37.3 80.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.074 0.464 . . . . 0.0 110.226 176.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -62.79 -42.27 99.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.421 178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -52.85 -34.84 56.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.195 176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.127 ' HA ' HG11 ' A' ' 67' ' ' VAL . 4.2 tt -64.11 -42.9 96.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.313 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.526 ' HD2' ' O ' ' A' ' 57' ' ' ALA . 1.7 mpt_? -75.6 -36.59 60.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.833 0.349 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -77.39 -63.29 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -176.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.447 ' O ' HG12 ' A' ' 67' ' ' VAL . 24.2 mm-40 -118.98 105.74 11.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.564 0.221 . . . . 0.0 111.466 -171.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -79.77 8.15 7.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.4 m -110.77 -20.87 12.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.059 0.457 . . . . 0.0 110.901 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -86.86 -24.9 24.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.055 178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 1.127 HG11 ' HA ' ' A' ' 60' ' ' LEU . 14.7 p -112.23 136.47 48.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.264 177.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.4 mtt180 -134.17 87.09 34.8 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -80.29 127.46 6.69 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.026 2.484 . . . . 0.0 111.8 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.9 p -126.8 141.86 51.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.876 0.37 . . . . 0.0 110.532 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -80.48 31.6 0.29 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.299 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -67.1 -19.31 65.62 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.25 0.548 . . . . 0.0 109.6 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.1 mt -140.81 -63.95 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.628 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -156.36 123.99 5.5 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -85.32 -28.68 25.09 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.178 -172.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -112.96 -36.08 5.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -169.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -88.07 -27.99 21.62 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.19 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 66.0 m95 -106.03 164.53 11.9 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 171.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.615 ' O ' ' HA ' ' A' ' 49' ' ' SER . 14.8 m -125.44 126.83 45.56 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.031 0.443 . . . . 0.0 109.991 177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -109.26 114.97 29.12 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.401 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.453 ' HB ' ' CG1' ' A' ' 48' ' ' VAL . 60.8 t -103.88 115.95 46.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.031 178.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -86.35 113.46 22.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.116 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.65 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 82.0 mt -81.16 70.22 7.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.793 0.806 . . . . 0.0 109.257 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -145.06 96.7 2.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.463 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 85.83 -53.51 4.69 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.137 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.3 m -81.97 140.53 33.94 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.425 0.155 . . . . 0.0 111.314 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.452 HD22 ' HG3' ' A' ' 91' ' ' GLN . 80.0 mt 71.05 128.93 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.371 0 O-C-N 124.122 0.889 . . . . 0.0 112.521 176.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -83.9 -177.86 3.29 Favored 'Trans proline' 0 CA--C 1.532 0.419 0 C-N-CA 123.046 2.498 . . . . 0.0 112.6 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -58.96 -37.92 77.89 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.169 -177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -53.92 -40.76 67.0 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.726 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.625 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 27.0 mm-40 -67.31 -35.83 80.24 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.489 ' HA ' HD12 ' A' ' 95' ' ' LEU . 36.6 mt -62.67 -39.38 84.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.871 -177.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -60.33 -46.2 90.76 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.095 0.474 . . . . 0.0 110.091 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -68.56 -33.21 73.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.031 -175.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.682 HD13 HG11 ' A' ' 48' ' ' VAL . 96.3 mt -54.48 -47.8 72.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.137 0.494 . . . . 0.0 110.902 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.55 HG21 HD11 ' A' ' 6' ' ' LEU . 89.5 t -75.92 -44.39 38.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.695 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -60.73 -52.61 64.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.671 -175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.85 95.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.745 0.307 . . . . 0.0 111.244 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.752 ' HA ' HE21 ' A' ' 102' ' ' GLN . 31.4 m -63.67 -45.01 92.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 104' ' ' VAL . 76.3 t80 -64.79 -44.35 90.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.576 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -61.96 -49.5 75.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.473 -175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.752 HE21 ' HA ' ' A' ' 99' ' ' SER . 29.1 pt20 -63.1 -32.72 74.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.054 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -67.35 -38.51 84.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.814 0.34 . . . . 0.0 110.45 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 100' ' ' TYR . 97.5 t -66.18 -35.86 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 176.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.84 -24.08 66.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.853 179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 94.8 mt -87.69 -7.61 57.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.788 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 92.4 mt -82.43 149.91 62.42 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.644 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -63.41 163.75 22.71 Favored 'Trans proline' 0 C--O 1.238 0.514 0 C-N-CA 122.966 2.444 . . . . 0.0 112.381 178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 5.0 tp10 -52.53 -47.73 66.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.944 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.571 ' HA ' ' HE2' ' A' ' 113' ' ' LYS . 34.3 tt0 -51.63 -50.31 60.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.017 -177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.7 -44.21 82.3 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.547 -174.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 116' ' ' VAL . 30.0 mtm180 -62.89 -41.13 99.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.256 -177.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.571 ' HE2' ' HA ' ' A' ' 110' ' ' GLU . 46.8 mtmt -61.37 -33.61 73.94 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.782 0.325 . . . . 0.0 110.993 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.515 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 71.4 mt -71.59 -42.39 67.8 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.778 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.423 HD23 HD12 ' A' ' 118' ' ' LEU . 98.6 mt -62.13 -28.5 69.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.584 -179.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 112' ' ' ARG . 85.7 t -70.05 -35.3 63.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.133 0.492 . . . . 0.0 110.692 177.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -75.19 -28.52 60.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.478 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 92.3 mt . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.55 -0.738 . . . . 0.0 111.205 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.589 ' HB2' ' HB2' ' A' ' 89' ' ' ASP . 3.7 tmm? . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.42 159.93 14.99 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.138 -175.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.47 HD11 HD12 ' A' ' 83' ' ' LEU . 48.8 mm -54.86 -40.89 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.32 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -35.49 73.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.179 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -77.2 -36.3 54.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.016 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.401 HD21 HG21 ' A' ' 96' ' ' VAL . 3.0 tm? -61.91 -41.1 97.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.582 176.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 91.1 mt -59.42 -39.18 82.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.951 177.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -73.01 -38.65 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.461 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -58.83 -37.35 76.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.073 0.464 . . . . 0.0 110.983 178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.5 m -68.49 -18.9 64.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.315 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.2 mmt -77.86 -5.82 52.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.984 0.421 . . . . 0.0 110.816 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.18 -10.03 37.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.188 175.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 75.6 mmtt -95.88 122.12 59.33 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.018 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 28.1 Cg_exo -62.07 128.1 23.12 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.463 2.109 . . . . 0.0 112.378 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.83 -18.34 56.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.999 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.92 119.66 25.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 110.899 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -131.55 145.89 51.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.186 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' NE2' ' HB3' ' A' ' 7' ' ' LEU . 79.2 mt-30 -90.75 122.17 33.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.187 179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -136.49 137.54 40.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 p -81.83 109.34 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-O 121.846 0.831 . . . . 0.0 109.808 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -101.08 133.83 45.0 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.898 -177.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -52.19 114.51 1.36 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.795 0.684 . . . . 0.0 110.138 177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -168.44 -103.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.216 -170.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.595 ' HZ2' ' HB3' ' A' ' 72' ' ' HIS . 34.0 m0 -116.66 21.09 13.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 170.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.9 tttt 58.09 82.93 0.12 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.164 -163.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.554 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -133.64 148.52 51.53 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.279 -176.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.3 m -79.63 116.6 19.92 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.15 0.5 . . . . 0.0 109.868 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.527 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 79.6 mt-30 -117.72 114.02 22.72 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.947 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.8 mt -93.07 108.32 20.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.297 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.59 154.11 51.13 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.579 -172.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.557 HG12 ' H ' ' A' ' 32' ' ' GLU . 6.2 t -86.13 174.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 169.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.618 ' HG3' ' HD3' ' A' ' 111' ' ' LYS . 10.7 mm-40 -26.78 -52.52 0.06 Allowed 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 -176.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -134.67 3.58 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.279 0.562 . . . . 0.0 110.92 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -108.63 101.01 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.449 . . . . 0.0 111.728 -171.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.433 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 69.0 tp -87.84 102.17 14.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 175.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -100.75 -18.64 16.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.522 -175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.22 118.53 6.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.313 0.577 . . . . 0.0 111.173 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.527 ' HB2' ' HG2' ' A' ' 28' ' ' GLN . 24.2 ptm -128.79 131.9 47.82 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.985 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.554 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 12.3 p -104.83 127.55 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.309 0.576 . . . . 0.0 110.133 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.79 ' HE2' HD11 ' A' ' 73' ' ' LEU . 25.3 mtpp -127.17 111.03 13.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.695 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.496 ' OE2' ' HA ' ' A' ' 44' ' ' ASN . 32.0 tt0 -78.68 111.88 15.22 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 p -108.95 111.26 35.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.55 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 61.52 36.76 16.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.687 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.496 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 2.4 t-20 73.35 13.69 4.58 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 114.509 -1.223 . . . . 0.0 111.375 178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 45' ' ' ARG . 51.7 mtt180 -102.72 126.7 32.02 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.556 173.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -72.18 110.98 3.08 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.506 2.138 . . . . 0.0 112.226 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.39 135.18 54.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.259 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 p -116.69 138.52 47.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.413 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.8 t -120.19 132.06 55.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.916 0.388 . . . . 0.0 110.261 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.005 ' HB2' HD11 ' A' ' 56' ' ' LEU . 8.7 mp -113.64 172.8 6.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.431 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 35' ' ' LEU . 67.4 mttm -74.56 167.13 22.36 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 170.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.9 m -67.15 97.31 0.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.109 0.481 . . . . 0.0 109.787 176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.0 m -116.56 151.24 46.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.909 -174.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 37.9 Cg_exo -57.57 -37.17 97.91 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.686 2.257 . . . . 0.0 112.03 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -63.89 -42.76 97.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.785 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.005 HD11 ' HB2' ' A' ' 50' ' ' LEU . 12.9 mt -64.25 -36.78 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.026 175.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.516 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -62.27 -35.56 79.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.93 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 38.7 mt-10 -55.89 -54.31 46.2 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.965 0.412 . . . . 0.0 110.476 177.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.6 mp -56.4 -40.32 74.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.758 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 51.9 tp -68.49 -31.88 71.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.529 -178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 57' ' ' ALA . 37.8 mmt180 -74.75 -33.82 62.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.043 0.449 . . . . 0.0 110.689 -178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -86.65 -33.21 20.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.489 -177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 62.19 24.76 14.77 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.859 -177.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -101.23 19.69 17.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.701 0.763 . . . . 0.0 109.512 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.689 ' HB3' HD21 ' A' ' 87' ' ' LEU . 34.7 m -150.15 159.32 44.51 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.525 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -82.98 119.42 24.42 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.94 0.4 . . . . 0.0 110.897 -179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.7 p -154.12 125.23 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.414 177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -133.77 146.11 58.87 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.105 177.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 3.1 Cg_exo -75.13 70.64 5.33 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.044 2.496 . . . . 0.0 112.422 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.506 ' HB3' ' HB2' ' A' ' 73' ' ' LEU . 34.2 m 59.99 -176.97 0.1 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.439 176.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.62 ' HA ' ' NE ' ' A' ' 71' ' ' ARG . 4.7 mmp_? -124.83 -74.03 0.62 Allowed 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.175 172.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.595 ' HB3' ' HZ2' ' A' ' 24' ' ' TRP . 46.8 t-80 -95.41 -15.47 22.99 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.255 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.79 HD11 ' HE2' ' A' ' 40' ' ' LYS . 5.7 mp -61.4 -73.73 0.09 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.968 -175.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 70' ' ' SER . 64.4 t30 -160.43 167.97 26.15 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 tmtp? -80.44 -27.68 37.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.856 0.36 . . . . 0.0 110.686 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -140.5 177.59 7.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -175.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 75.17 -48.91 0.64 Allowed 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 114.791 -1.095 . . . . 0.0 111.554 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -86.99 134.06 33.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.752 0.311 . . . . 0.0 110.286 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.616 ' HB2' HD13 ' A' ' 56' ' ' LEU . 15.4 m -125.64 126.37 44.61 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.6 m -111.68 129.47 56.09 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.3 -172.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.5 t -111.4 128.91 67.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.842 176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -91.8 115.71 28.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.941 0.4 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.47 HD12 HD11 ' A' ' 3' ' ' ILE . 89.4 mt -81.31 77.85 8.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.556 0.693 . . . . 0.0 110.751 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -127.08 -29.7 2.75 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.827 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -170.44 -160.65 19.38 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.479 ' OG ' ' HA ' ' A' ' 65' ' ' SER . 23.2 t 72.03 -66.57 0.3 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.376 0.67 . . . . 0.0 111.443 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 65' ' ' SER . 2.8 mm? -95.83 124.14 53.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.542 0.211 . . . . 0.0 110.883 -176.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.494 ' HD2' ' HG3' ' A' ' 91' ' ' GLN . 63.2 Cg_endo -75.72 -178.31 4.22 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.606 2.204 . . . . 0.0 112.363 174.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.589 ' HB2' ' HB2' ' A' ' 1' ' ' MET . 8.9 p-10 -59.43 -36.26 75.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.266 -175.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.6 p -67.7 -38.31 83.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.81 -176.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.494 ' HG3' ' HD2' ' A' ' 88' ' ' PRO . 15.9 mm100 -65.46 -31.94 73.29 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.369 -177.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.58 -44.97 94.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.635 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -63.71 -36.3 83.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -59.35 -42.18 90.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.072 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.09 -43.28 58.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.16 -177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.401 HG21 HD21 ' A' ' 6' ' ' LEU . 85.6 t -63.27 -47.64 91.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.378 -177.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -65.63 -38.82 90.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.023 -176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.44 98.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.097 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.7 t -67.45 -32.09 72.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.154 0.502 . . . . 0.0 110.116 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.418 ' O ' HG23 ' A' ' 104' ' ' VAL . 69.2 t80 -70.13 -41.79 73.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.428 176.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -60.7 -49.14 78.7 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.577 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.506 ' HG3' ' N ' ' A' ' 103' ' ' ALA . 1.7 pt20 -63.03 -40.11 96.75 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.492 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -57.94 -45.51 86.49 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.312 -178.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 100' ' ' TYR . 98.8 t -63.81 -40.39 88.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.997 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -77.09 -16.13 59.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.587 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 86.0 mt -93.49 -4.9 50.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.699 0.285 . . . . 0.0 111.022 178.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 84.2 mt -75.82 152.63 84.91 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.894 178.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.39 154.35 64.5 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.282 1.988 . . . . 0.0 110.633 171.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -53.31 -45.21 68.92 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 123.378 0.424 . . . . 0.0 111.818 -172.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 114' ' ' LEU . 1.9 tm-20 -55.5 -47.25 76.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.976 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.618 ' HD3' ' HG3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -72.37 -42.89 64.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.357 0.599 . . . . 0.0 110.428 -178.642 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.448 ' O ' HG23 ' A' ' 116' ' ' VAL . 1.8 tmm_? -60.34 -47.74 84.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.867 -177.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 113' ' ' LYS . 66.9 mmtt -63.67 -31.28 72.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.924 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.586 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 54.2 mt -59.43 -48.93 79.74 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 120.745 0.307 . . . . 0.0 110.81 177.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 62.2 mt -69.99 -26.78 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.262 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.9 t -76.16 -38.44 34.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.218 0.532 . . . . 0.0 110.838 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -71.79 -27.74 63.15 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.003 -178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 90.9 mt . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.663 -0.684 . . . . 0.0 111.078 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.573 ' HB3' ' HB2' ' A' ' 89' ' ' ASP . 5.6 tmm? . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -122.56 171.95 8.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.639 -169.447 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.568 ' HA ' ' HB2' ' A' ' 6' ' ' LEU . 49.9 mm -53.13 -35.48 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 123.487 0.715 . . . . 0.0 112.659 -174.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 p -56.29 -39.92 73.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.102 0.477 . . . . 0.0 110.8 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.534 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 36.3 mt-10 -78.21 -31.47 49.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.359 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 3' ' ' ILE . 1.5 mm? -61.03 -35.75 77.71 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.279 178.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.3 tm? -54.87 -50.52 68.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.46 . . . . 0.0 109.924 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -67.45 -36.96 82.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.747 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -64.68 -36.37 84.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.8 m -68.98 -33.37 73.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.037 0.446 . . . . 0.0 110.469 178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.452 ' CE ' ' HG3' ' A' ' 18' ' ' GLN . 28.0 mmt -80.14 -1.34 39.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.902 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.43 -2.65 58.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.201 0.524 . . . . 0.0 109.875 173.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -102.59 103.63 33.31 Favored Pre-proline 0 N--CA 1.452 -0.34 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.479 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -62.9 119.08 6.0 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.857 2.371 . . . . 0.0 112.839 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' HA3' HD22 ' A' ' 115' ' ' LEU . . . 116.52 -25.62 9.02 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.989 178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.48 123.67 32.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.775 0.321 . . . . 0.0 110.331 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -115.15 124.36 51.3 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.499 ' HB2' ' CG2' ' A' ' 27' ' ' THR . 4.2 pp0? -96.43 155.72 16.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.367 179.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -153.9 104.69 2.69 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.364 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.575 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.6 p -79.23 112.35 17.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.483 0.658 . . . . 0.0 110.127 177.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -86.94 125.69 34.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.773 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -79.67 16.42 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.507 0.67 . . . . 0.0 110.577 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -68.24 -55.61 11.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.731 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.419 ' HH2' ' HE3' ' A' ' 40' ' ' LYS . 8.0 p-90 -140.06 16.53 2.45 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.138 176.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttm 61.91 84.08 0.14 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.995 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.14 136.36 17.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.285 -1.325 . . . . 0.0 108.907 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.575 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 27.3 m -99.71 117.53 34.25 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.224 0.535 . . . . 0.0 110.828 -177.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -88.04 112.88 23.12 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.739 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.448 HG12 ' HB3' ' A' ' 18' ' ' GLN . 39.8 mt -107.42 108.37 25.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.0 0.428 . . . . 0.0 109.851 179.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -141.29 169.44 17.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.729 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG12 ' H ' ' A' ' 32' ' ' GLU . 1.9 t -86.79 -141.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 172.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' H ' HG12 ' A' ' 31' ' ' VAL . 39.7 mt-10 -67.21 -49.8 63.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 122.09 -0.381 . . . . 0.0 110.678 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -142.01 16.14 2.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.548 0.69 . . . . 0.0 110.436 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.3 t -113.22 108.95 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.836 -178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 69.0 tp -93.93 114.15 26.3 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.328 -0.396 . . . . 0.0 109.962 177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -106.04 -32.14 8.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.52 155.18 29.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.066 0.46 . . . . 0.0 111.314 -178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' A' ' 38' ' ' MET . 14.0 ptp -138.79 119.74 14.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.329 177.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.503 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 14.9 p -87.14 137.19 21.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HE3' ' HH2' ' A' ' 24' ' ' TRP . 10.5 ptmt -153.92 136.37 15.03 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.847 0.356 . . . . 0.0 111.745 -166.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -93.03 110.48 21.95 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 170.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -126.19 135.89 62.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.864 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 60.53 25.04 14.69 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -169.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 60.9 t30 61.3 23.67 13.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.452 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' HB2' ' HE1' ' A' ' 82' ' ' TYR . 19.9 mmt180 -114.09 134.67 22.14 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.77 177.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -70.02 121.19 7.83 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.238 1.959 . . . . 0.0 111.896 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.69 169.88 16.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.162 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 p -141.48 134.58 30.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.956 0.408 . . . . 0.0 110.57 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 79' ' ' SER . 50.2 m -106.32 120.11 41.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.107 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD22 ' HG ' ' A' ' 56' ' ' LEU . 5.9 mp -98.55 145.95 26.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.861 ' HE2' ' HA ' ' A' ' 51' ' ' LYS . 0.5 OUTLIER -95.26 -17.94 21.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.917 0.389 . . . . 0.0 110.185 178.07 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.611 HG22 ' H ' ' A' ' 53' ' ' SER . 0.2 OUTLIER -126.58 -160.15 0.97 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.252 -176.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.611 ' H ' HG22 ' A' ' 52' ' ' THR . 37.3 t 75.66 113.4 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.253 0 C-N-CA 123.879 0.871 . . . . 0.0 111.543 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.08 -21.59 13.76 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.892 2.395 . . . . 0.0 111.928 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -75.21 -36.15 61.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.484 -177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HG ' HD22 ' A' ' 50' ' ' LEU . 3.9 mm? -62.9 -35.92 81.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.873 0.368 . . . . 0.0 110.331 175.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.679 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -62.32 -39.6 93.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.508 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.49 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 111.126 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mp -60.98 -31.57 71.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.458 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.6 tp -72.89 -40.58 65.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.427 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.679 ' HG2' ' O ' ' A' ' 57' ' ' ALA . 31.9 mmt180 -73.8 -50.61 19.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.772 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -79.65 -55.32 5.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.187 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.518 ' O ' HG12 ' A' ' 67' ' ' VAL . 19.2 mm-40 -93.15 54.42 2.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.053 0.454 . . . . 0.0 110.655 -176.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 -77.21 44.33 0.41 Allowed 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.242 -174.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.2 t -165.37 -39.27 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.465 ' HB3' ' HB3' ' A' ' 63' ' ' GLN . 27.1 t70 -65.35 -46.89 78.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.201 177.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.518 HG12 ' O ' ' A' ' 63' ' ' GLN . 11.1 p -73.04 -41.55 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.902 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' ' HD2' ' A' ' 82' ' ' TYR . 16.3 ttp180 59.05 103.36 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 123.449 0.699 . . . . 0.0 112.006 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.536 ' HA ' ' HB ' ' A' ' 80' ' ' THR . 86.2 Cg_endo -79.54 179.44 6.34 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.553 2.169 . . . . 0.0 112.17 177.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.5 p -90.5 110.88 21.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.185 0.517 . . . . 0.0 110.52 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HD3' HH11 ' A' ' 71' ' ' ARG . 18.2 ttm180 -62.46 -24.57 67.51 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.109 -176.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -72.63 -19.59 61.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.267 -176.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.9 mt -121.88 -177.42 3.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.854 0.359 . . . . 0.0 110.927 -177.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 77' ' ' HIS . 9.6 m120 -72.31 102.42 3.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.647 177.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -67.74 -24.28 65.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.988 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.96 40.03 1.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.022 0.439 . . . . 0.0 110.722 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 74' ' ' ASN . 1.3 t-80 -152.12 -38.49 0.11 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 177.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 30.6 m95 -108.13 170.23 8.13 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.782 168.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 49' ' ' SER . 16.2 m -125.32 126.29 44.84 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.536 ' HB ' ' HA ' ' A' ' 69' ' ' PRO . 25.4 m -128.19 130.06 47.44 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.841 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 p -119.1 122.01 68.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.98 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.504 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . 7.7 m-85 -77.35 118.94 20.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.295 0.569 . . . . 0.0 110.58 177.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.4 mt -97.78 30.78 2.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.689 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.504 ' OD1' ' HB3' ' A' ' 82' ' ' TYR . 5.6 p-10 -76.38 0.18 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.214 -177.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.38 -15.04 3.69 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.227 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.0 t -63.84 -55.27 24.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.906 0.384 . . . . 0.0 110.306 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 4.0 mm? -96.65 141.36 22.97 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.034 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 10.9 Cg_exo -71.11 161.3 46.42 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.988 2.458 . . . . 0.0 112.44 -178.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 4.5 p30 -64.85 -24.69 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.237 -179.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 p -64.92 -28.44 69.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.097 0.475 . . . . 0.0 110.911 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -73.18 -32.32 64.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.707 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.9 mt -61.61 -35.9 70.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.441 -175.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -54.14 -48.86 70.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.1 0.476 . . . . 0.0 110.867 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -60.68 -43.52 97.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.848 -178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.23 -41.34 98.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.472 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.3 t -77.46 -51.9 17.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.801 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.42 -42.95 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.813 -0.176 . . . . 0.0 111.143 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.489 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -62.79 -41.99 99.51 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.612 0.244 . . . . 0.0 111.485 -178.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.54 ' HA ' HE21 ' A' ' 102' ' ' GLN . 50.7 m -62.91 -41.36 99.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 110.909 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.483 ' O ' HG23 ' A' ' 104' ' ' VAL . 32.8 t80 -62.76 -48.07 80.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.735 178.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -57.42 -44.46 84.63 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.177 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.54 HE21 ' HA ' ' A' ' 99' ' ' SER . 48.0 mt-30 -57.38 -44.61 84.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.025 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.507 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.64 -39.92 94.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.416 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 100' ' ' TYR . 91.0 t -63.37 -42.98 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.182 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -69.82 -18.67 63.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.382 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 95.4 mt -90.57 -8.56 49.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.98 -178.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 87.3 mt -84.92 155.54 61.17 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.913 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -60.84 160.24 26.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.987 2.458 . . . . 0.0 112.312 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.2 mm-40 -54.31 -48.29 71.48 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.967 -176.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' A' ' 110' ' ' GLU . 4.8 mp0 -53.05 -50.14 64.91 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 121.152 0.501 . . . . 0.0 111.044 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -67.47 -40.17 85.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.131 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.423 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -60.32 -35.97 76.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.59 -176.493 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 71.5 mmtt -58.94 -47.82 83.69 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.197 0.523 . . . . 0.0 110.976 -177.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.28 -44.77 95.06 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.849 -175.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.402 HD22 ' HA3' ' A' ' 15' ' ' GLY . 44.2 mt -64.69 -31.75 73.11 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.341 -177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 112' ' ' ARG . 86.5 t -78.23 -32.29 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.938 0.399 . . . . 0.0 110.975 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -74.98 -28.31 60.51 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.503 -0.76 . . . . 0.0 111.243 -176.418 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HE2' ' HB2' ' A' ' 89' ' ' ASP . 20.9 ptp . . . . . 0 N--CA 1.48 1.046 0 CA-C-O 120.7 0.286 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 p -117.37 -179.21 3.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 48.4 mm -64.47 -31.03 51.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.2 -173.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.5 t -63.05 -47.66 82.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.544 0.212 . . . . 0.0 110.924 -175.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.07 -41.93 99.54 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.249 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.64 -41.53 86.22 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.628 179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -62.99 -45.47 92.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.995 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -58.78 -39.39 80.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.03 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -61.81 -45.04 95.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.649 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.0 m -61.92 -36.35 81.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.284 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 30.9 mmt -70.23 -18.05 63.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.738 0.304 . . . . 0.0 111.12 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.16 59.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.219 0.533 . . . . 0.0 110.482 177.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 72.8 mmtt -94.64 117.04 66.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.814 177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 24.3 Cg_exo -61.93 113.47 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.683 2.255 . . . . 0.0 111.968 -177.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 112.06 -18.3 23.91 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.502 176.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.97 113.97 12.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.703 0.287 . . . . 0.0 110.47 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -113.9 154.71 27.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.303 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.3 140.2 29.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.118 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.1 m -147.57 109.39 4.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.714 0.292 . . . . 0.0 110.944 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.1 p -95.86 124.14 48.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.268 0.556 . . . . 0.0 110.12 177.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -101.25 121.74 42.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.019 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 46.4 t-20 -70.84 96.35 1.25 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.942 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.4 t70 175.12 -71.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -80.8 -22.4 40.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.445 170.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 73.4 tttt 67.04 19.18 10.55 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.84 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.89 169.69 11.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.9 m -110.32 117.87 34.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.129 0.49 . . . . 0.0 110.324 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -92.06 131.73 37.11 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.068 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.9 mt -104.13 110.11 29.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.736 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.57 162.22 33.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.39 -175.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.474 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -94.57 -134.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.411 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 21.5 mm-40 -56.34 -66.38 0.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.075 0.464 . . . . 0.0 111.338 176.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -135.77 8.61 3.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.672 0.749 . . . . 0.0 109.597 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.14 103.71 15.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.109 -176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 63.8 tp -84.07 128.43 34.55 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.467 ' HA ' ' HE3' ' A' ' 51' ' ' LYS . 37.0 p90 -119.8 -34.44 3.75 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.351 -0.54 . . . . 0.0 112.387 -177.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.33 158.64 43.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.766 0.317 . . . . 0.0 111.097 -178.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.2 ptp -147.02 130.32 16.59 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.382 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -97.18 121.91 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.98 117.92 14.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.626 -173.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HA ' ' HA ' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -78.56 124.46 28.17 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 175.786 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 p -145.91 136.82 19.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 66.04 31.49 8.96 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 67.0 31.13 7.14 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.543 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 75.9 mtt85 -144.54 110.26 4.9 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.775 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.598 ' HA ' ' HA ' ' A' ' 41' ' ' GLU . 14.7 Cg_exo -68.52 114.92 3.65 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.733 2.289 . . . . 0.0 111.473 176.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.83 155.11 45.72 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.441 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.97 134.5 59.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.124 0.487 . . . . 0.0 110.458 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 79' ' ' SER . 18.3 m -103.0 122.64 45.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.746 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 50' ' ' LEU . 6.2 mp -110.04 178.95 4.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.387 177.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 36' ' ' PHE . 99.6 mttt -91.6 176.85 6.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.883 0.373 . . . . 0.0 110.595 177.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 p -72.82 89.55 1.38 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.182 173.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.788 ' HB2' HD23 ' A' ' 56' ' ' LEU . 11.8 m -113.45 165.06 14.16 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.3 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' ' 53' ' ' SER . 40.3 Cg_exo -36.06 -67.38 0.1 OUTLIER 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.743 2.962 . . . . 0.0 114.389 -176.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -67.04 -34.65 78.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.841 0.311 . . . . 0.0 111.841 -178.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 53' ' ' SER . 3.6 mm? -68.57 -41.36 79.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.902 0.382 . . . . 0.0 110.935 -177.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.46 -47.54 72.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.009 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -60.05 -38.66 83.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.167 177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.612 HD12 ' HG3' ' A' ' 63' ' ' GLN . 45.7 tp -52.42 -50.96 61.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.663 175.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.03 -30.05 68.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.052 0.453 . . . . 0.0 111.054 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -73.26 -44.11 59.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.603 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -95.95 -50.63 4.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.612 ' HG3' HD12 ' A' ' 59' ' ' LEU . 15.1 mm100 -74.69 97.76 3.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 0.0 111.037 -174.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -85.45 -20.84 29.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.643 175.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.7 m -104.86 -177.6 3.41 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.394 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.51 -71.9 0.11 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.53 0.519 . . . . 0.0 112.175 177.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.24 124.78 22.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.737 0.78 . . . . 0.0 111.408 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.411 ' HA ' ' NE ' ' A' ' 68' ' ' ARG . 1.9 mmp_? -113.82 102.48 54.85 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.071 175.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.27 89.09 0.47 Allowed 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.664 2.242 . . . . 0.0 112.16 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.498 ' HB2' ' HE1' ' A' ' 82' ' ' TYR . 20.6 t -92.43 69.1 4.98 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.659 0.742 . . . . 0.0 109.708 -178.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HB3' ' HD2' ' A' ' 75' ' ' LYS . 23.4 tpt180 -124.69 109.52 13.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.815 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -83.94 -15.69 46.96 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 85.1 mt -89.59 -158.33 0.51 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.313 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -50.2 113.8 0.95 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' HD2' ' HB3' ' A' ' 71' ' ' ARG . 7.3 mmmm -75.06 -51.86 12.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.749 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -85.52 66.11 9.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.043 0.449 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -176.3 -41.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.129 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -120.63 136.84 54.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.365 176.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' SER . 17.5 m -125.2 126.41 45.18 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.446 0.641 . . . . 0.0 110.132 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.1 m -94.26 114.63 26.76 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.507 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.447 HG11 HD12 ' A' ' 87' ' ' LEU . 59.1 t -87.48 116.1 29.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.199 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.498 ' HE1' ' HB2' ' A' ' 70' ' ' SER . 0.7 OUTLIER -71.88 118.38 14.66 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.891 179.666 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.4 mt -86.98 12.64 10.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.434 0.635 . . . . 0.0 109.953 177.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -83.96 72.18 10.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.054 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.38 38.51 95.03 Favored Glycine 0 CA--C 1.519 0.303 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.462 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.2 t -109.52 -81.87 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.79 0.295 . . . . 0.0 110.667 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.447 HD12 HG11 ' A' ' 81' ' ' VAL . 74.8 mt -87.19 144.12 35.7 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 120.699 0.285 . . . . 0.0 110.783 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.95 166.26 29.63 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.775 2.317 . . . . 0.0 112.582 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.424 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 11.5 p-10 -67.25 -26.53 66.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.885 -178.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.1 p -68.84 -29.25 67.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.026 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.416 ' HG2' HD13 ' A' ' 87' ' ' LEU . 7.0 tp60 -70.51 -32.04 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.303 -178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 96' ' ' VAL . 49.8 mm -56.2 -41.82 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.203 -177.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -57.5 -42.81 83.49 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -71.53 -40.01 70.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.726 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.71 -43.96 97.84 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.352 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 92' ' ' ILE . 93.0 t -62.84 -52.38 60.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.035 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.54 -37.01 85.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.487 -177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.51 91.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.864 0.364 . . . . 0.0 111.093 178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -76.07 -34.35 59.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.778 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.474 ' O ' HG23 ' A' ' 104' ' ' VAL . 54.4 t80 -73.14 -42.51 62.78 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.024 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.1 tp60 -59.23 -50.29 74.59 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.79 0.328 . . . . 0.0 111.275 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 11.8 pt20 -59.7 -32.52 70.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.967 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.38 -42.41 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.626 177.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.502 ' HA ' HD12 ' A' ' 107' ' ' LEU . 84.5 t -62.43 -35.49 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.051 0.453 . . . . 0.0 110.681 178.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.77 -17.12 63.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.914 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 87.7 mt -97.54 -4.34 38.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.916 0.389 . . . . 0.0 110.555 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 104' ' ' VAL . 94.4 mt -84.6 151.43 58.6 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.629 179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.33 169.74 17.67 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.904 2.402 . . . . 0.0 112.78 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.16 -49.13 69.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.421 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -52.14 -53.25 45.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.716 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 13.9 mptt -63.08 -43.34 98.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.831 -173.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 112' ' ' ARG . 18.1 mtm180 -62.94 -41.69 99.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.826 0.346 . . . . 0.0 111.13 -176.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -69.48 -32.16 70.89 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.739 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.77 -40.88 79.49 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.23 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 79.3 mt -59.98 -34.66 73.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 112' ' ' ARG . 52.6 t -70.2 -29.25 38.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.294 0.569 . . . . 0.0 110.854 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -76.45 -28.85 56.73 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.119 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.244 0.784 0 CA-C-O 118.726 -0.654 . . . . 0.0 111.109 -175.029 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.99 148.58 27.54 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 174.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.561 HD11 ' HB2' ' A' ' 46' ' ' PRO . 41.0 mm -63.16 -29.97 48.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.411 -176.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -58.36 -38.51 77.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.788 0.328 . . . . 0.0 110.706 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.88 -41.33 82.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.207 0.527 . . . . 0.0 110.278 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.46 -42.17 99.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.681 178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 88.9 mt -64.44 -40.11 95.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.85 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.05 -39.65 93.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.942 0.401 . . . . 0.0 109.925 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -64.7 -35.66 81.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.935 177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.9 m -73.04 -27.02 61.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.836 0.35 . . . . 0.0 110.846 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.483 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 1.6 mmt -71.36 -11.73 61.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.839 177.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.7 -1.02 57.88 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.526 176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -96.3 115.74 65.77 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.03 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.94 131.82 26.54 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.912 2.408 . . . . 0.0 112.251 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.82 -0.15 89.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.561 176.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.07 125.34 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.007 0.432 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -106.65 124.24 49.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.723 178.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -97.13 120.47 37.54 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.159 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 m -125.74 104.36 8.31 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.397 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.609 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 5.5 p -79.92 123.12 36.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.127 0.489 . . . . 0.0 109.754 175.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -98.81 137.49 37.31 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.063 -0.718 . . . . 0.0 109.063 178.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -70.95 -169.36 0.35 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 -178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 73.07 -66.28 0.32 Allowed 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.577 0.751 . . . . 0.0 109.937 -176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -94.95 -16.29 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 86.5 mttt 59.52 26.49 15.48 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.546 0.689 . . . . 0.0 110.587 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.57 127.08 32.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.073 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.609 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 16.6 m -89.8 117.37 28.59 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.893 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -95.44 128.65 42.46 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.598 -177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.1 mt -103.84 113.12 39.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CE ' ' HA ' ' A' ' 33' ' ' ASP . 22.3 ptmt -131.52 163.82 27.17 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.443 -175.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.435 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -90.28 -134.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -48.01 -63.1 1.16 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.164 0.507 . . . . 0.0 109.958 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.414 ' HA ' ' CE ' ' A' ' 30' ' ' LYS . 36.7 t70 -145.9 8.75 1.12 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.712 0.768 . . . . 0.0 109.46 170.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.6 t -85.74 105.99 14.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.424 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.2 tp -86.81 127.25 35.01 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.831 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -118.85 -32.43 4.51 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.009 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -156.67 162.77 39.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.728 0.299 . . . . 0.0 110.854 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -156.21 146.57 21.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.604 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.479 HG21 HD12 ' A' ' 3' ' ' ILE . 7.5 p -105.0 127.76 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.083 0.468 . . . . 0.0 110.422 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -121.04 123.35 42.17 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.405 -175.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.86 111.89 23.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 171.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.0 p -146.02 128.61 9.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.085 -177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' O ' ' HB3' ' A' ' 44' ' ' ASN . 0.9 OUTLIER 63.39 31.35 15.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.699 178.734 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 43' ' ' GLU . 8.1 t30 78.48 -2.69 2.35 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 123.981 0.8 . . . . 0.0 110.865 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -100.0 111.16 61.57 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.674 177.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' HB2' HD11 ' A' ' 3' ' ' ILE . 58.1 Cg_endo -83.7 107.39 1.36 Allowed 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.379 2.053 . . . . 0.0 110.537 172.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 82' ' ' TYR . . . -124.34 163.02 22.58 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.358 -173.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.49 132.24 66.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.099 0.476 . . . . 0.0 110.856 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.572 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 20.4 m -97.75 129.29 44.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.119 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.37 163.36 12.68 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.991 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' HG2' ' H ' ' A' ' 52' ' ' THR . 60.8 tttt -92.4 -144.95 0.21 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.985 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.478 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 17.4 p -76.61 73.24 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.282 0.563 . . . . 0.0 109.785 174.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.466 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 15.2 m -109.79 140.31 22.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.599 -173.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 22.4 Cg_exo -65.85 -22.17 56.73 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.104 2.536 . . . . 0.0 111.989 176.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.559 ' HG3' ' CE2' ' A' ' 94' ' ' TYR . 9.6 mp0 -54.31 -41.57 69.14 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.12 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.82 -32.59 73.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.979 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.21 -35.13 63.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.934 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -62.55 -46.21 89.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.347 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.3 mt -52.31 -47.87 65.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.117 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 60' ' ' LEU . 6.7 tt -55.3 -36.99 66.78 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.644 0.59 . . . . 0.0 111.761 -176.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.5 mpt_? -75.41 -25.59 57.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.385 -177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -96.25 -59.95 1.73 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.141 -175.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -116.22 -173.26 2.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 65' ' ' SER . 47.8 m80 -140.68 177.95 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 178.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 71.3 m 69.8 14.24 8.04 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.481 0.657 . . . . 0.0 109.994 -173.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.441 ' OD2' HG23 ' A' ' 67' ' ' VAL . 12.3 p-10 -97.48 178.42 5.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.546 -178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.441 HG23 ' OD2' ' A' ' 66' ' ' ASP . 53.6 t 52.17 76.63 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 121.491 0.662 . . . . 0.0 111.203 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -109.88 102.87 51.96 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.557 ' HA ' ' HA ' ' A' ' 79' ' ' SER . 22.4 Cg_endo -61.44 -37.66 69.7 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 123.013 2.476 . . . . 0.0 113.307 -173.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.7 m 57.46 78.91 0.21 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -168.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.09 9.07 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.72 -168.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -70.45 -28.0 64.68 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 171.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.3 mt -86.64 -78.48 0.29 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.709 177.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -166.98 113.01 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -51.21 -62.3 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.786 0.679 . . . . 0.0 112.59 -168.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -104.1 78.46 1.52 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.166 0.508 . . . . 0.0 111.058 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -170.97 -44.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.333 176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -124.35 127.16 47.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.627 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 69' ' ' PRO . 32.2 t -127.16 136.46 52.11 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.572 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 9.4 m -107.93 128.93 55.07 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 120.988 0.423 . . . . 0.0 111.5 -173.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.69 103.84 15.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 173.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.539 ' CE1' ' HB ' ' A' ' 80' ' ' THR . 78.7 m-85 -85.6 128.43 34.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.743 -176.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.15 34.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.31 0.576 . . . . 0.0 110.615 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 82' ' ' TYR . 36.8 t70 -85.48 -14.12 47.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.091 -178.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -110.22 -147.99 11.75 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.645 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.9 m -85.33 85.83 7.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.851 0.357 . . . . 0.0 111.153 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -122.07 112.8 31.58 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.429 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -74.09 161.09 41.66 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.771 2.314 . . . . 0.0 112.248 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.68 -39.57 84.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.053 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.6 m -62.55 -28.81 70.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.409 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -70.12 -33.08 71.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.033 0.444 . . . . 0.0 110.697 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.56 -38.44 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.782 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -59.85 -49.49 77.5 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 55' ' ' GLU . 77.0 t80 -64.28 -44.48 91.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.067 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.9 mt -56.45 -42.59 78.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.86 0.362 . . . . 0.0 111.263 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.2 t -77.37 -52.86 15.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.479 -178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -70.27 -34.66 73.06 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -171.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -60.05 -35.69 75.69 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.058 0.456 . . . . 0.0 110.397 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.432 ' HA ' ' NE2' ' A' ' 102' ' ' GLN . 17.9 m -70.74 -30.26 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.25 176.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 104' ' ' VAL . 52.9 t80 -66.79 -45.18 79.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.337 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -56.43 -34.78 67.14 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.569 0.223 . . . . 0.0 111.187 176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 72.7 mt-30 -60.79 -46.39 90.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.9 -40.8 75.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.087 -179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 100' ' ' TYR . 74.9 t -58.19 -45.62 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.302 -176.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.02 -16.61 59.25 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.85 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.0 mt -93.16 -4.86 51.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.19 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 84.6 mt -69.65 139.59 88.91 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 0.0 111.064 178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.512 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 17.1 Cg_exo -68.97 -179.32 2.48 Favored 'Trans proline' 0 C--O 1.237 0.448 0 C-N-CA 123.326 2.684 . . . . 0.0 113.169 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -45.46 -64.2 0.78 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 114.804 -1.089 . . . . 0.0 112.289 -175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -49.31 -52.99 24.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.092 -175.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.512 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 3.4 mptp? -63.09 -48.7 77.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.911 -175.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 116' ' ' VAL . 4.2 mmt180 -56.62 -44.41 81.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.936 178.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.808 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 8.1 mmpt? -53.8 -44.99 70.62 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 111.647 -177.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -36.36 82.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.124 -177.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 80.1 mt -77.7 -26.68 50.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.774 -175.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 112' ' ' ARG . 95.1 t -80.54 -37.75 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.759 0.314 . . . . 0.0 111.232 -177.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -72.93 -28.53 62.5 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.795 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.753 -0.641 . . . . 0.0 110.457 179.079 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.8 p -99.96 155.83 17.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.083 0.468 . . . . 0.0 111.618 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.574 HD13 ' HB ' ' A' ' 39' ' ' VAL . 65.2 mt -64.38 -33.02 60.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.999 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.5 t -54.38 -41.77 69.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.885 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.71 -41.85 68.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.453 0.644 . . . . 0.0 109.875 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.2 -36.46 83.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.789 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 47.0 mt -54.47 -41.99 70.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.121 -178.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -72.31 -33.07 67.1 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.533 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.65 -32.22 73.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.447 177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.0 m -59.92 -35.11 74.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.855 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 94.1 mmm -76.87 -10.94 59.71 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.737 -178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.99 -6.55 57.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.028 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 9.1 mmpt? -96.68 108.08 40.58 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 176.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.478 ' O ' HD22 ' A' ' 115' ' ' LEU . 24.3 Cg_endo -62.0 107.79 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.632 2.221 . . . . 0.0 112.537 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 -3.43 18.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.657 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.54 117.37 31.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.752 0.31 . . . . 0.0 111.04 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -106.0 146.53 29.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.311 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -89.95 119.87 30.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.578 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -112.31 107.65 16.57 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.009 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.44 145.84 8.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.076 0.465 . . . . 0.0 111.143 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.56 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 11.3 m80 -126.73 162.49 25.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.319 175.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -82.23 -174.74 5.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.125 -172.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.2 t70 77.96 -62.58 0.36 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.077 0.951 . . . . 0.0 111.781 177.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.56 ' HD1' ' H ' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -122.99 4.22 9.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.702 0.287 . . . . 0.0 111.342 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 21' ' ' HIS . 42.9 tttp 57.58 38.03 27.73 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.58 172.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' HB1' ' HG3' ' A' ' 40' ' ' LYS . . . -68.09 140.64 56.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.617 178.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.2 m -111.04 118.45 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.111 0.481 . . . . 0.0 110.693 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 38' ' ' MET . 49.7 mt-30 -100.94 133.46 45.39 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.182 178.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.2 mt -104.72 108.83 25.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' HD2' ' O ' ' A' ' 31' ' ' VAL . 3.9 pptp? -143.8 154.8 43.79 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.742 -175.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.586 ' O ' ' HD2' ' A' ' 30' ' ' LYS . 2.2 t -81.95 -131.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.194 177.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -48.64 -67.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.098 0.475 . . . . 0.0 110.028 171.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.75 9.26 1.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.968 0.889 . . . . 0.0 109.102 170.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.5 t -80.85 97.69 3.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.496 -178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.8 tp -85.89 111.16 19.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.726 176.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.404 ' HD1' ' HB3' ' A' ' 99' ' ' SER . 35.1 p90 -109.2 -12.84 14.75 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.657 -176.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.37 149.98 2.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.496 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.416 ' HB2' ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -146.56 136.85 23.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.043 0.449 . . . . 0.0 110.381 174.639 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.574 ' HB ' HD13 ' A' ' 3' ' ' ILE . 15.7 m -105.91 138.4 31.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.898 -176.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HD3' ' C ' ' A' ' 39' ' ' VAL . 3.3 mppt? -134.36 123.55 24.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.708 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -79.07 110.76 14.61 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 169.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.454 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.5 p -127.82 121.57 56.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.977 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.794 -178.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HG3' HG22 ' A' ' 42' ' ' VAL . 31.1 mt-10 62.17 22.66 13.3 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.752 -177.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t30 66.23 21.07 11.09 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.272 -177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.7 mtp180 -115.21 119.87 37.76 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.86 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HB3' HG13 ' A' ' 3' ' ' ILE . 21.5 Cg_endo -61.48 117.9 4.74 Favored 'Trans proline' 0 C--O 1.236 0.388 0 C-N-CA 122.96 2.44 . . . . 0.0 113.012 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.45 130.67 46.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.0 110.944 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -123.7 158.11 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.015 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.458 ' HA ' ' O ' ' A' ' 79' ' ' SER . 20.3 m -131.45 129.59 41.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 95' ' ' LEU . 6.8 mp -122.43 -83.64 0.66 Allowed 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.23 0.331 . . . . 0.0 111.557 -178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.839 ' HD3' ' H ' ' A' ' 52' ' ' THR . 6.5 tmtt? 68.57 174.84 0.28 Allowed 'General case' 0 CA--C 1.537 0.478 0 O-C-N 123.697 0.623 . . . . 0.0 109.408 -174.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.839 ' H ' ' HD3' ' A' ' 51' ' ' LYS . 4.0 m 61.72 26.7 16.27 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.8 0.81 . . . . 0.0 111.323 175.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.42 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 2.5 p -138.21 130.93 16.31 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.328 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 73.7 Cg_exo -51.87 -55.32 4.02 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.388 2.725 . . . . 0.0 113.882 -173.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -62.87 -41.47 99.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.762 0.315 . . . . 0.0 111.131 -176.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.77 -38.78 87.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.844 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.59 84.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.211 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -72.97 -44.56 60.96 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.043 0.449 . . . . 0.0 110.392 176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.443 ' HG ' HG11 ' A' ' 67' ' ' VAL . 38.9 tp -52.72 -46.21 67.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.278 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HA ' HG13 ' A' ' 67' ' ' VAL . 4.6 pp -71.99 -28.62 63.52 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 120.967 0.413 . . . . 0.0 111.182 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.177 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.66 -54.05 4.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.399 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.558 HE21 HG12 ' A' ' 67' ' ' VAL . 24.4 mt-30 -82.39 128.12 33.92 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.704 0.287 . . . . 0.0 110.73 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.58 ' O ' ' HD3' ' A' ' 68' ' ' ARG . 22.3 m170 -122.69 -7.28 8.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.099 0.476 . . . . 0.0 110.046 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -94.21 -34.2 12.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.553 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -94.63 -87.42 0.26 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.291 -176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.558 HG12 HE21 ' A' ' 63' ' ' GLN . 3.8 p -76.0 124.83 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.994 0.426 . . . . 0.0 109.905 175.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.58 ' HD3' ' O ' ' A' ' 64' ' ' HIS . 12.2 ptt180 -170.72 158.47 5.59 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -174.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -71.64 88.41 0.76 Allowed 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 122.489 2.126 . . . . 0.0 110.892 171.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.0 t -82.68 10.53 7.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.038 -175.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.658 ' HD2' ' O ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER 48.27 32.37 3.12 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.232 179.354 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -75.87 -16.93 59.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.871 175.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.42 HD21 ' CH2' ' A' ' 24' ' ' TRP . 76.4 mt -136.74 -60.02 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.095 176.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -147.12 168.96 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -85.19 -52.64 5.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.881 0.372 . . . . 0.0 111.307 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -135.28 99.97 4.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.881 0.372 . . . . 0.0 111.278 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -175.98 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -119.05 -179.08 3.72 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.933 173.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' A' ' 49' ' ' SER . 19.5 m -132.42 131.21 41.54 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.0 m -91.37 113.86 26.24 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.906 0.384 . . . . 0.0 110.809 -176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.5 t -109.65 118.99 58.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.453 177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -89.64 115.09 26.76 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.927 0.394 . . . . 0.0 110.653 -178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 46' ' ' PRO . 47.1 mt -67.22 -26.87 66.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.911 0.862 . . . . 0.0 108.787 176.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.78 68.49 9.93 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.502 169.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -161.95 -140.74 2.95 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.617 -176.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.7 t -87.06 -15.73 37.7 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -172.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 87' ' ' LEU . 3.6 mm? -76.45 126.3 86.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.598 0.237 . . . . 0.0 111.627 -176.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.17 160.56 26.47 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.966 2.444 . . . . 0.0 112.364 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -50.24 -50.59 49.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.037 -176.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -56.07 -42.68 77.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.927 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.58 HE22 HD21 ' A' ' 95' ' ' LEU . 20.4 tm0? -69.47 -37.25 77.22 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -178.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.515 HD13 HD22 ' A' ' 83' ' ' LEU . 79.5 mt -63.28 -41.06 91.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.042 178.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -62.44 -37.16 84.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.042 0.449 . . . . 0.0 110.179 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -64.37 -42.01 96.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.582 178.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.66 ' HB3' HD21 ' A' ' 50' ' ' LEU . 70.5 mt -58.18 -55.29 36.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.792 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.69 -45.64 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.056 0.455 . . . . 0.0 111.237 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.67 -31.5 70.67 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.793 -178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.04 -40.12 82.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.783 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.567 ' HA ' HE21 ' A' ' 102' ' ' GLN . 66.4 m -62.7 -34.69 77.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.062 0.458 . . . . 0.0 110.648 176.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' O ' HG23 ' A' ' 104' ' ' VAL . 44.2 t80 -69.41 -45.89 68.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.21 175.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -41.42 94.49 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.032 -177.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.567 HE21 ' HA ' ' A' ' 99' ' ' SER . 11.0 pt20 -64.97 -31.63 72.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 110.768 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -72.97 -29.67 63.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.705 0.288 . . . . 0.0 110.811 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 100' ' ' TYR . 88.5 t -62.94 -38.77 82.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.829 -177.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -76.97 -17.12 59.09 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.852 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.6 mt -81.57 -32.48 32.14 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.456 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 98.7 mt -74.03 140.42 77.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.56 178.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 5.6 Cg_exo -80.9 -176.97 3.42 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.886 2.391 . . . . 0.0 113.219 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -47.14 -51.35 18.37 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.298 177.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -48.65 -52.65 22.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.936 -177.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.63 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 14.0 mptt -69.17 -42.58 75.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.263 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.471 ' O ' HG23 ' A' ' 116' ' ' VAL . 14.0 mtp180 -61.35 -37.18 82.39 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.123 179.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.711 ' HA ' ' HE3' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -58.16 -32.37 68.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.155 0.503 . . . . 0.0 110.823 179.118 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 93.3 mt -81.91 -46.58 13.87 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.985 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 62.9 mt -57.49 -32.64 67.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.188 -175.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 112' ' ' ARG . 88.6 t -68.52 -41.36 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.014 0.435 . . . . 0.0 110.659 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -77.23 -29.18 53.98 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.203 -178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 87.0 mt . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.732 -0.651 . . . . 0.0 111.674 -175.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 ttm . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.1 -0.334 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 48.9 p -100.39 169.86 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.867 0.365 . . . . 0.0 111.187 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.54 HD11 ' HB3' ' A' ' 46' ' ' PRO . 46.4 mm -68.9 -24.57 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.316 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 t -59.84 -43.67 94.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.345 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -59.97 -45.66 91.96 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.28 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.6 -49.69 70.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.206 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 7' ' ' LEU . 1.8 tm? -55.96 -49.34 73.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.66 -177.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -60.94 -43.04 99.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.943 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -68.47 -32.47 72.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.851 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 74.5 m -67.84 -34.42 76.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.633 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 86.3 mtp -75.61 -13.32 60.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 110.556 177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.34 1.1 52.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.487 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -93.47 109.36 40.1 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.91 112.59 1.33 Allowed 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.583 2.189 . . . . 0.0 112.387 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.03 -13.26 24.19 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.18 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.09 128.22 45.18 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.095 0.474 . . . . 0.0 110.521 178.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -124.94 147.66 48.76 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -110.6 152.13 26.82 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.243 0.544 . . . . 0.0 110.958 -175.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -138.59 103.79 4.95 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.441 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 3.5 p -97.74 123.86 50.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.317 0.579 . . . . 0.0 110.633 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -107.73 97.04 6.81 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -66.39 133.5 50.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.173 0.511 . . . . 0.0 111.557 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 173.12 -47.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.084 -1.45 . . . . 0.0 107.084 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -144.53 32.76 1.17 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.256 -1.338 . . . . 0.0 109.288 172.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HD3' ' HB3' ' A' ' 41' ' ' GLU . 9.5 mptt 58.53 40.79 23.44 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.213 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.903 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . . . -76.01 97.57 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.659 177.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 9.4 m -109.35 118.31 36.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.528 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.424 ' HB3' HD13 ' A' ' 35' ' ' LEU . 91.5 mt-30 -99.83 113.28 25.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.379 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.1 mt -98.66 114.82 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 33' ' ' ASP . 60.8 pttt -148.92 169.16 21.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.242 0.544 . . . . 0.0 111.908 -171.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -88.12 -131.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 171.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -38.79 -66.06 0.31 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.539 0.685 . . . . 0.0 110.087 172.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 25.6 t70 -154.06 19.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.276 169.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.7 t -80.98 94.76 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 115.031 -0.986 . . . . 0.0 109.959 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.534 ' O ' ' HE2' ' A' ' 51' ' ' LYS . 56.5 tp -79.25 101.73 8.18 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -96.59 -27.77 14.67 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.166 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.37 132.1 14.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.964 0.411 . . . . 0.0 110.73 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.625 ' HG3' ' HB2' ' A' ' 49' ' ' SER . 6.0 ptt? -133.18 122.01 23.39 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.837 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.492 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 14.4 p -102.71 140.37 21.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.986 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.903 ' HG3' ' HA ' ' A' ' 26' ' ' ALA . 3.7 mppt? -138.82 161.34 37.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.954 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.557 ' HB3' ' HD3' ' A' ' 25' ' ' LYS . 2.1 tm-20 -125.37 113.73 17.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 175.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.2 p -122.99 107.82 20.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.25 0.547 . . . . 0.0 111.185 -177.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 60.03 47.05 10.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.133 173.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 79.12 2.49 2.38 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.684 175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -108.2 107.81 60.57 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.936 0.398 . . . . 0.0 111.268 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.54 ' HB3' HD11 ' A' ' 3' ' ' ILE . 8.1 Cg_exo -72.78 122.08 7.89 Favored 'Trans proline' 0 C--O 1.237 0.455 0 C-N-CA 122.938 2.426 . . . . 0.0 111.082 174.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.55 128.72 41.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.06 130.25 71.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.087 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.625 ' HB2' ' HG3' ' A' ' 38' ' ' MET . 19.2 m -104.53 116.85 32.8 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.78 -178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.671 HD21 ' HB3' ' A' ' 95' ' ' LEU . 5.1 mp -101.44 164.69 11.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.417 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' HE2' ' O ' ' A' ' 35' ' ' LEU . 56.1 mttm -81.45 155.22 25.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 169.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.1 m -55.6 113.7 1.56 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.044 0.45 . . . . 0.0 110.805 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.76 ' HB2' HD23 ' A' ' 56' ' ' LEU . 23.0 m -121.5 149.61 52.91 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.929 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_exo -52.15 -47.64 25.72 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.908 2.405 . . . . 0.0 112.414 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 41.5 mt-10 -70.48 -34.99 73.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.37 -177.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.76 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -67.7 -40.16 84.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.021 0.438 . . . . 0.0 110.275 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.5 -34.38 70.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.467 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -56.81 -53.61 55.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.146 176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 99.5 mt -55.84 -51.54 67.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.46 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.1 tp -66.52 -31.05 71.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 111.601 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -71.78 -38.28 70.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.881 0.372 . . . . 0.0 110.797 -176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.46 -45.0 7.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.684 -176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -94.11 121.28 35.44 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -96.05 124.9 40.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.531 -173.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.1 t 68.26 -170.7 0.19 Allowed 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.492 174.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 71.79 -39.63 0.45 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.236 1.015 . . . . 0.0 111.945 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.2 p -70.93 -29.13 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 171.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 71.14 113.9 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.261 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.166 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.61 153.01 79.51 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.749 2.299 . . . . 0.0 112.537 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 m -60.66 136.08 57.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.603 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -127.71 -45.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.794 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -83.25 -23.36 32.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -172.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.71 62.98 1.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.776 0.322 . . . . 0.0 110.844 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 65.3 155.16 0.08 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.82 -177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -86.78 -24.99 24.86 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.088 -0.383 . . . . 0.0 111.319 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.94 172.17 10.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.129 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 64.8 m170 70.88 -53.15 0.67 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.372 0.669 . . . . 0.0 110.457 -175.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 83.9 m95 -96.13 141.54 29.38 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 49' ' ' SER . 11.0 m -125.67 124.44 41.13 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.8 m -113.92 113.82 25.38 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.555 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.7 t -92.09 114.42 29.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.141 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -88.54 106.13 18.09 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.586 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 68.3 mt -59.23 -55.7 31.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.943 -176.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.0 t0 59.68 12.99 3.17 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.572 175.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.75 9.44 86.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.807 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.9 t -123.42 24.69 8.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.029 0.442 . . . . 0.0 110.847 -177.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 0.3 OUTLIER -112.2 121.2 39.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -179.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 87' ' ' LEU . 2.4 Cg_endo -47.07 129.91 15.75 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.491 2.794 . . . . 0.0 113.148 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -53.43 -46.77 69.94 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.552 -173.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.5 m -72.65 -28.52 62.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.769 0.319 . . . . 0.0 111.542 -173.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.565 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.2 mm-40 -70.24 -31.83 69.41 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.726 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.4 mt -56.2 -48.56 79.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.669 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -65.25 -38.91 91.81 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.076 0.465 . . . . 0.0 110.486 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -60.51 -40.39 91.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.937 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.671 ' HB3' HD21 ' A' ' 50' ' ' LEU . 81.0 mt -64.06 -38.77 92.27 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.73 -53.78 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.717 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.98 -34.39 77.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.513 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.62 -38.81 85.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.934 0.397 . . . . 0.0 110.76 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.4 m -77.36 -39.37 47.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.432 ' O ' HG23 ' A' ' 104' ' ' VAL . 51.2 t80 -65.95 -47.62 74.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.274 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.1 tm0? -58.46 -50.16 74.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -175.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -62.52 -32.65 73.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.142 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.475 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -69.4 -37.98 77.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.781 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 100' ' ' TYR . 99.2 t -64.94 -36.56 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -69.46 -16.83 63.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.263 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.07 -4.75 42.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.76 0.314 . . . . 0.0 111.193 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 97.0 mt -84.54 146.39 46.98 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.675 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -72.5 168.16 25.09 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.952 2.435 . . . . 0.0 113.001 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.688 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.1 tp10 -45.27 -58.39 3.32 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.802 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -48.11 -49.17 32.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.386 -173.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -70.97 -42.42 69.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.25 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 116' ' ' VAL . 55.5 mtp180 -65.35 -26.26 67.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.813 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.801 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 7.4 mmpt? -55.75 -41.47 74.0 Favored 'General case' 0 C--O 1.231 0.083 0 CA-C-O 120.976 0.417 . . . . 0.0 110.967 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.75 -45.07 72.39 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.534 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.3 mt -61.08 -31.7 71.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.885 -175.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 112' ' ' ARG . 75.5 t -80.75 -34.7 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.843 0.354 . . . . 0.0 111.149 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -74.3 -28.74 61.32 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.471 -177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.61 179.743 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.468 ' HE2' ' HB2' ' A' ' 89' ' ' ASP . 58.4 ttp . . . . . 0 N--CA 1.481 1.125 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.9 p -113.21 -177.66 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.179 0.514 . . . . 0.0 111.116 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.566 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 47.4 mm -68.74 -24.03 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.332 177.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.0 m -57.6 -34.59 69.42 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.321 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -74.1 -36.52 64.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.299 0.571 . . . . 0.0 110.195 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.12 -31.74 64.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.11 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 89.0 mt -55.28 -45.44 76.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.233 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -69.8 -34.36 73.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.69 0.281 . . . . 0.0 110.655 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.59 -31.83 70.22 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.266 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 78.6 m -66.98 -19.04 65.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.546 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.3 mmt -78.89 -11.83 60.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.168 0.508 . . . . 0.0 109.832 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.9 -2.12 53.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.54 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -98.61 106.07 34.29 Favored Pre-proline 0 C--O 1.235 0.325 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.213 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.485 ' O ' HD22 ' A' ' 115' ' ' LEU . 19.2 Cg_endo -57.94 117.51 4.23 Favored 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.765 2.31 . . . . 0.0 113.064 -175.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 115.54 -21.96 12.33 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.05 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.39 120.02 25.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.818 0.342 . . . . 0.0 111.457 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -117.67 151.97 36.16 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.548 ' HG2' HG12 ' A' ' 29' ' ' ILE . 65.5 mt-30 -122.33 132.29 54.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.361 . . . . 0.0 111.402 -174.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.7 m -142.15 128.47 19.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.669 178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.513 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 3.9 p -91.83 130.36 41.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.458 ' HD2' ' OD2' ' A' ' 23' ' ' ASP . 11.4 t60 -116.04 162.42 17.43 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -175.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -58.14 -25.84 61.93 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.458 ' OD2' ' HD2' ' A' ' 21' ' ' HIS . 16.5 m-20 -66.75 100.67 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.53 0.205 . . . . 0.0 110.817 -179.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 13.1 m0 64.62 8.51 4.46 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.802 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 mttp 57.86 31.22 20.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.157 0.503 . . . . 0.0 110.418 -175.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.28 139.59 34.09 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.634 179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 43.1 m -99.87 118.89 37.28 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.114 0.483 . . . . 0.0 109.894 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -96.23 135.72 37.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.646 -176.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.548 HG12 ' HG2' ' A' ' 18' ' ' GLN . 53.0 mt -108.93 113.87 45.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.72 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -141.84 168.51 19.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.399 -176.443 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.57 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 2.2 t -79.78 -133.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 172.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 33' ' ' ASP . 6.9 pt-20 -58.82 -63.85 1.15 Allowed 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.94 -0.475 . . . . 0.0 110.2 173.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.582 ' H ' ' HG3' ' A' ' 32' ' ' GLU . 28.7 t70 -140.3 18.64 2.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.775 0.798 . . . . 0.0 109.887 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.3 t -98.61 101.07 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.822 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.72 ' HA ' ' HB3' ' A' ' 30' ' ' LYS . 7.8 tt -86.54 124.48 32.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.804 -177.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -126.74 -21.25 4.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.692 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.484 ' HB3' ' HB ' ' A' ' 29' ' ' ILE . . . -139.37 150.89 45.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.388 . . . . 0.0 111.083 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.623 ' HG2' ' HB3' ' A' ' 49' ' ' SER . 26.8 ptm -153.88 140.82 19.24 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.718 177.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -112.67 124.12 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.279 0.562 . . . . 0.0 110.587 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' HD3' HG21 ' A' ' 80' ' ' THR . 9.6 ptmm? -129.85 135.29 48.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.422 -177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -99.89 130.62 46.1 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.041 0.448 . . . . 0.0 110.77 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -149.84 143.13 17.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 171.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 34.3 tt0 64.24 19.59 11.84 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -174.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 m120 65.1 18.65 11.55 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.362 -176.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.479 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 2.8 mpt_? -112.95 133.64 21.95 Favored Pre-proline 0 C--O 1.235 0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.379 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 2.8 Cg_exo -76.89 129.82 10.95 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.951 2.434 . . . . 0.0 112.119 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.515 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -122.7 142.43 50.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.831 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.04 133.58 64.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.056 0.455 . . . . 0.0 110.428 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.623 ' HB3' ' HG2' ' A' ' 38' ' ' MET . 8.8 t -111.34 130.81 55.56 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.479 HD21 ' HB3' ' A' ' 95' ' ' LEU . 5.6 mp -105.33 35.28 2.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.806 -171.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.515 ' HA ' ' CZ3' ' A' ' 78' ' ' TRP . 7.6 tmtt? 52.5 52.88 13.25 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.401 0.62 . . . . 0.0 109.89 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.3 m 73.7 -71.23 0.14 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.516 -177.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.4 t 64.58 114.91 0.02 OUTLIER Pre-proline 0 C--O 1.234 0.287 0 O-C-N 123.832 0.707 . . . . 0.0 111.185 -176.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 32.4 Cg_exo -60.26 -19.76 59.13 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.859 2.373 . . . . 0.0 112.299 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -77.18 -47.21 20.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.647 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.62 -35.17 70.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.155 -178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.68 -41.33 85.96 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 54' ' ' PRO . 42.6 mm-40 -63.75 -50.9 67.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.898 0.38 . . . . 0.0 110.836 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.1 tp -52.97 -44.23 67.0 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.864 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.462 ' O ' ' HB3' ' A' ' 64' ' ' HIS . 38.5 tp -65.41 -37.65 87.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.178 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -66.14 -49.1 68.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.984 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -62.56 -65.13 0.73 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.71 -177.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -129.2 99.13 5.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.055 0.455 . . . . 0.0 111.158 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.462 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 12.9 p-80 -105.2 58.27 0.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.57 0.7 . . . . 0.0 110.875 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 32.4 m -128.36 149.2 50.63 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.209 -0.905 . . . . 0.0 108.864 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' HB3' ' O ' ' A' ' 65' ' ' SER . 29.1 t70 73.54 -44.95 0.6 Allowed 'General case' 0 N--CA 1.472 0.669 0 O-C-N 123.712 0.632 . . . . 0.0 110.892 -177.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.2 p -77.53 142.69 13.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 173.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -111.56 104.0 55.66 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 120.642 0.258 . . . . 0.0 111.662 -174.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -81.07 91.63 1.12 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.597 2.198 . . . . 0.0 111.743 174.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 46.7 t -117.92 108.98 15.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.085 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' HB3' ' HA ' ' A' ' 75' ' ' LYS . 11.0 tpt180 -148.21 104.81 3.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.488 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -73.01 -30.42 63.76 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.7 mt -57.08 -71.59 0.09 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.098 0.475 . . . . 0.0 109.945 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.597 HD22 ' HB2' ' A' ' 77' ' ' HIS . 49.7 t30 -151.67 111.14 3.96 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 171.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 71' ' ' ARG . 5.0 tmmm? -61.1 -35.82 78.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.424 -176.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -92.47 22.53 4.54 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.597 ' HB2' HD22 ' A' ' 74' ' ' ASN . 10.5 t-160 -122.61 -60.09 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.732 0.301 . . . . 0.0 110.348 176.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.515 ' CZ3' ' HA ' ' A' ' 51' ' ' LYS . 59.7 m95 -98.56 153.62 18.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.905 0.383 . . . . 0.0 110.366 178.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -125.33 126.35 44.93 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.515 HG22 ' HB1' ' A' ' 47' ' ' ALA . 16.4 m -123.14 122.67 39.02 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.356 -175.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.0 t -103.29 130.16 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.427 -176.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.487 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 44.5 m-85 -97.66 132.75 43.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.608 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.51 42.14 0.75 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.078 0.466 . . . . 0.0 110.9 -177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -88.02 70.12 9.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.271 0.558 . . . . 0.0 110.743 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.93 -35.24 1.44 Allowed Glycine 0 CA--C 1.521 0.411 0 CA-C-N 115.594 -0.73 . . . . 0.0 113.937 174.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.59 ' HB2' HD22 ' A' ' 87' ' ' LEU . 14.6 m -59.08 -38.27 79.08 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -174.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 86' ' ' SER . 3.1 mm? -100.73 118.31 60.98 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.608 0.242 . . . . 0.0 111.208 -173.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_exo -66.75 159.17 52.57 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.906 2.404 . . . . 0.0 110.95 173.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.468 ' HB2' ' HE2' ' A' ' 1' ' ' MET . 1.2 p-10 -64.1 -30.52 71.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.519 0.199 . . . . 0.0 110.836 -174.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.5 t -63.64 -39.48 94.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.941 0.401 . . . . 0.0 110.466 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.502 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.5 mm-40 -69.83 -32.84 71.46 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.2 mt -59.44 -38.81 77.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.482 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -63.39 -47.42 82.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.378 176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -63.08 -45.59 91.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.15 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 87.5 mt -55.63 -54.74 40.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.682 0.277 . . . . 0.0 111.223 -177.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.8 -43.79 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 33.5 t70 -68.27 -35.15 77.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.955 -178.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.627 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -58.19 -54.71 43.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.604 178.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.8 p -61.1 -30.9 70.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.127 0.489 . . . . 0.0 110.715 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.45 ' O ' HG23 ' A' ' 104' ' ' VAL . 87.6 t80 -67.04 -46.02 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.329 176.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 33.1 mm-40 -58.62 -44.46 89.97 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.526 178.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' A' ' 98' ' ' ALA . 69.0 mt-30 -59.46 -46.97 87.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.342 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.23 95.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.382 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 100' ' ' TYR . 98.6 t -61.18 -39.15 81.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.927 0.394 . . . . 0.0 111.002 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -68.4 -18.61 64.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.549 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 99.2 mt -88.14 -10.4 50.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.839 0.352 . . . . 0.0 110.946 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 98.8 mt -85.26 148.37 49.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.613 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.29 170.45 15.97 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.734 2.289 . . . . 0.0 112.719 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 20.3 mm-40 -49.72 -45.06 48.72 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.77 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -48.4 -51.48 26.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.712 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 12.3 mptt -73.53 -47.53 40.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.449 -178.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 116' ' ' VAL . 21.3 mtm180 -59.12 -38.71 80.25 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.587 ' O ' ' HG2' ' A' ' 117' ' ' GLN . 32.6 mmtp -65.28 -46.76 79.15 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.82 0.343 . . . . 0.0 110.506 178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 58.5 mt -63.66 -39.55 94.62 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.891 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 48.7 mt -62.54 -29.91 70.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.332 -179.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 112' ' ' ARG . 61.9 t -78.75 -29.06 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.166 0.508 . . . . 0.0 110.441 177.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.587 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 26.8 mm-40 -71.96 -28.95 63.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.469 -178.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.906 -179.714 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.672 0.272 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 74.1 p -91.09 169.47 10.83 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 170.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.543 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 46.0 mm -63.97 -31.69 54.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -61.16 -43.54 98.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.55 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -63.92 -38.39 90.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.812 178.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.29 -46.31 80.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.945 178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 90.0 mt -59.7 -44.38 93.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.84 178.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -63.19 -36.59 84.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.79 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -65.06 -33.96 77.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.924 0.393 . . . . 0.0 110.37 178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.09 -25.62 62.69 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.796 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 20.0 mmt -73.44 -21.11 60.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.624 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.2 -23.25 51.48 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.142 0.496 . . . . 0.0 110.504 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -85.41 117.34 68.56 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.68 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.71 137.74 46.74 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.761 2.307 . . . . 0.0 112.205 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.23 -20.83 34.71 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.369 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.41 115.11 20.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.878 0.371 . . . . 0.0 110.04 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -118.15 148.49 42.29 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.243 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -90.94 128.16 36.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.783 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.541 ' HB2' ' HB2' ' A' ' 28' ' ' GLN . 15.5 m -113.09 142.25 45.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 174.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.7 p -115.34 112.23 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.751 0.786 . . . . 0.0 110.696 174.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -104.37 112.57 25.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.119 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 23' ' ' ASP . 62.3 t30 -60.95 164.65 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 22' ' ' ASN . 39.2 t70 89.74 -32.81 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 124.333 1.053 . . . . 0.0 109.081 -169.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -116.17 -36.98 3.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.637 170.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.8 tttm 68.44 13.86 9.04 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.607 0.718 . . . . 0.0 110.943 175.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -99.12 178.76 4.82 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.599 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.5 m -102.59 132.88 48.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.158 0.504 . . . . 0.0 111.942 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.677 ' HG3' ' HG3' ' A' ' 38' ' ' MET . 2.5 mp0 -105.65 142.32 35.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.466 174.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.407 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.6 mp -114.93 110.74 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -138.44 162.3 34.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.051 0.453 . . . . 0.0 111.446 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -103.9 -133.09 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 174.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -44.51 -69.94 0.12 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.397 0.435 . . . . 0.0 110.849 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -138.64 3.09 2.26 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.982 0.896 . . . . 0.0 109.326 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.8 t -82.88 96.72 3.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.611 -175.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 57.4 tp -87.74 95.35 10.04 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -97.55 -21.35 17.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.872 -173.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.82 126.11 16.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 0.0 111.316 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.677 ' HG3' ' HG3' ' A' ' 28' ' ' GLN . 41.3 ttp -144.79 120.12 10.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.391 176.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.472 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 9.9 p -86.88 144.25 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.084 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.576 ' NZ ' ' HB2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -141.43 133.04 27.04 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 177.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -87.02 111.98 21.39 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 171.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' ' 43' ' ' GLU . 7.1 p -139.04 138.1 41.69 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.543 ' HG2' HG22 ' A' ' 42' ' ' VAL . 25.7 mm-40 64.46 33.64 10.91 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.414 0.626 . . . . 0.0 109.332 -174.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.0 t30 73.51 -6.2 1.82 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 114.557 -1.201 . . . . 0.0 112.155 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.584 ' HB2' ' HE2' ' A' ' 82' ' ' TYR . 4.7 mmp_? -114.18 140.24 24.73 Favored Pre-proline 0 C--N 1.323 -0.558 0 O-C-N 121.804 -0.56 . . . . 0.0 111.31 -177.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -70.87 117.41 5.14 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.731 2.287 . . . . 0.0 112.02 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -127.02 154.38 44.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.644 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -115.51 150.78 17.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.942 0.401 . . . . 0.0 110.303 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.0 m -134.87 118.36 16.87 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.305 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.557 ' HB2' ' CD1' ' A' ' 56' ' ' LEU . 6.5 mp -94.49 144.01 25.93 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 174.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -78.61 92.17 4.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.211 0.529 . . . . 0.0 110.159 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 56' ' ' LEU . 15.0 m 71.35 -84.41 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 114.978 -1.01 . . . . 0.0 111.212 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.466 ' HA ' ' OE1' ' A' ' 102' ' ' GLN . 60.4 p 59.1 154.68 0.09 OUTLIER Pre-proline 0 N--CA 1.477 0.885 0 C-N-CA 124.373 1.069 . . . . 0.0 112.76 -179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -70.63 -39.96 4.37 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.653 2.235 . . . . 0.0 112.128 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -65.6 -48.4 72.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.705 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.557 ' CD1' ' HB2' ' A' ' 50' ' ' LEU . 17.2 mt -66.64 -32.56 73.96 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.77 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.38 -53.36 57.17 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 175.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.5 -48.86 78.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.995 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.0 tp -59.8 -28.7 67.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.562 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mp -67.27 -30.83 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.406 177.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -75.75 -49.58 17.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.963 0.411 . . . . 0.0 110.449 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -73.35 -35.72 66.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.747 -173.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 58.67 -157.35 0.32 Allowed 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.621 0.368 . . . . 0.0 110.998 178.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 69.24 16.54 8.45 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.122 0.569 . . . . 0.0 111.336 177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.4 p -111.06 6.16 20.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.428 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.0 t70 58.41 43.83 19.16 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.794 0.806 . . . . 0.0 110.203 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.546 ' HB ' HG13 ' A' ' 81' ' ' VAL . 7.5 p -99.74 135.11 36.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.954 177.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.479 ' HD3' ' HE1' ' A' ' 82' ' ' TYR . 0.0 OUTLIER -122.11 127.81 25.78 Favored Pre-proline 0 C--N 1.322 -0.62 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.329 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -66.01 115.14 3.29 Favored 'Trans proline' 0 N--CA 1.46 -0.441 0 C-N-CA 122.445 2.097 . . . . 0.0 110.097 170.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.9 t -80.83 112.95 18.68 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.899 0.381 . . . . 0.0 111.285 -171.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.5 tmm_? -72.47 -26.12 61.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.777 175.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -68.31 -27.34 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.025 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.455 HD11 ' HE2' ' A' ' 40' ' ' LYS . 92.0 mt -102.19 -77.53 0.55 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.662 179.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.725 ' HB3' ' HD1' ' A' ' 78' ' ' TRP . 61.5 t30 -167.49 105.29 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -52.02 -54.23 32.4 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -164.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -97.0 10.76 38.33 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -168.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.463 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . 29.7 m80 -139.04 -22.94 0.92 Allowed 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.175 -0.61 . . . . 0.0 112.597 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.725 ' HD1' ' HB3' ' A' ' 74' ' ' ASN . 91.8 m95 -115.49 125.02 52.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.878 0.37 . . . . 0.0 110.131 173.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.5 p -125.39 139.02 54.02 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.04 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.1 m -102.05 114.21 28.14 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 -177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.546 HG13 ' HB ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.69 133.33 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.584 ' HE2' ' HB2' ' A' ' 45' ' ' ARG . 31.2 m-85 -88.07 115.42 25.53 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.034 0.445 . . . . 0.0 112.041 -173.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.647 HD22 HG12 ' A' ' 92' ' ' ILE . 94.2 mt -69.25 -31.72 70.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.692 175.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.433 ' OD2' ' HD3' ' A' ' 45' ' ' ARG . 32.4 t70 -85.03 77.16 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.897 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 134.05 -63.22 0.62 Allowed Glycine 0 N--CA 1.449 -0.5 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.877 175.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.7 m -69.62 -50.55 43.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.801 0.334 . . . . 0.0 111.877 -174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.434 HD21 ' CG1' ' A' ' 81' ' ' VAL . 3.6 mm? -93.18 135.19 25.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.242 -176.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.466 ' HD2' ' HG3' ' A' ' 91' ' ' GLN . 16.9 Cg_exo -68.64 149.15 73.48 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 122.529 2.153 . . . . 0.0 110.581 168.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -58.41 -28.74 65.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.152 0.501 . . . . 0.0 111.547 -176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 p -69.59 -30.04 67.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.902 -178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.466 ' HG3' ' HD2' ' A' ' 88' ' ' PRO . 78.3 mm-40 -70.69 -31.72 68.71 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.412 -176.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.647 HG12 HD22 ' A' ' 83' ' ' LEU . 51.6 mt -53.55 -40.29 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.623 -175.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -56.79 -48.87 76.94 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.005 0.431 . . . . 0.0 111.206 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -73.03 -35.84 66.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.97 -173.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.3 mt -58.18 -45.42 87.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 110.967 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.5 t -70.55 -43.66 77.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.803 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -64.26 -41.01 97.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.394 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.02 -41.79 73.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.352 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.484 ' HB2' HD23 ' A' ' 50' ' ' LEU . 8.4 t -68.87 -28.3 66.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.15 0.5 . . . . 0.0 109.924 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.457 ' O ' HG23 ' A' ' 104' ' ' VAL . 58.9 t80 -72.08 -36.76 69.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.272 175.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -54.07 50.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.193 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.466 ' OE1' ' HA ' ' A' ' 53' ' ' SER . 10.0 pt20 -60.11 -32.88 71.4 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.168 -178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -65.16 -42.5 93.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.968 179.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 100' ' ' TYR . 57.3 t -63.12 -36.27 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -68.92 -16.43 63.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.781 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 97.1 mt -97.83 -7.46 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 92.3 mt -84.3 148.33 52.54 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.066 -176.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 111' ' ' LYS . 25.7 Cg_endo -62.14 163.29 20.3 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 123.065 2.51 . . . . 0.0 112.772 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 4.4 tp10 -57.53 -46.79 83.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.525 -177.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -58.54 -44.5 89.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.647 -1.16 . . . . 0.0 111.385 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.437 ' O ' ' HG ' ' A' ' 115' ' ' LEU . 0.5 OUTLIER -74.07 -34.84 64.17 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -176.354 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 112' ' ' ARG . 45.6 mtp180 -59.52 -33.99 72.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.631 0.253 . . . . 0.0 110.96 178.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 74.8 mmtt -63.81 -38.54 91.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.152 0.501 . . . . 0.0 110.642 177.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 70.3 mt -70.74 -39.94 73.04 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.502 -177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 65.6 mt -60.29 -34.39 73.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.328 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.3 t -70.84 -37.97 70.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.923 0.392 . . . . 0.0 110.401 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -46.18 84.39 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.387 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.9 mt . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.183 -174.828 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 120.689 0.281 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.8 p -98.42 168.31 10.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.802 0.334 . . . . 0.0 111.179 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 63.6 mt -61.62 -42.14 93.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.47 -177.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.0 p -62.96 -39.56 95.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.564 -176.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.57 -40.64 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.05 0.452 . . . . 0.0 110.358 178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.773 HD11 HG21 ' A' ' 96' ' ' VAL . 31.8 tp -65.13 -44.49 88.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.204 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 87.8 mt -62.05 -38.04 87.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.968 178.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -62.36 -43.1 99.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.903 0.382 . . . . 0.0 110.384 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -65.44 -34.09 77.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.845 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 63.7 m -73.16 -26.08 61.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.972 178.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.435 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 1.4 mmt -76.66 -12.71 60.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 0.0 110.708 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.65 7.33 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.27 176.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HA ' ' HD2' ' A' ' 14' ' ' PRO . 75.2 mmtt -109.81 107.11 58.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.655 177.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' ' 13' ' ' LYS . 15.4 Cg_endo -57.78 132.47 50.18 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.692 2.261 . . . . 0.0 112.208 -178.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.01 -27.37 19.74 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.025 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.61 131.61 37.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.91 0.386 . . . . 0.0 110.663 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -122.29 150.91 41.7 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.505 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -89.77 122.08 32.52 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.674 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 m -121.91 104.56 9.63 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.4 177.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 p -98.87 120.77 48.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.319 0.58 . . . . 0.0 110.466 178.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.408 ' C ' ' H ' ' A' ' 23' ' ' ASP . 47.3 m-70 -116.05 137.11 52.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.773 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -71.96 16.21 0.13 Allowed 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -176.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 21' ' ' HIS . 19.2 t70 -61.76 -58.4 8.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.383 0.611 . . . . 0.0 109.731 172.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -121.85 2.79 10.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.877 171.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt 60.97 23.88 14.0 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.396 -169.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.539 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -86.85 157.16 19.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.72 -177.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 30.2 m -91.82 117.37 29.71 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.604 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -100.39 121.05 40.89 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 175.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.9 mt -103.6 115.39 45.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.3 -175.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -129.45 158.39 39.32 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.324 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.725 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -88.39 -134.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.482 ' HG3' ' HG2' ' A' ' 111' ' ' LYS . 5.8 mm-40 -55.6 -67.15 0.31 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.107 0.48 . . . . 0.0 110.458 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -134.56 5.49 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.722 0.772 . . . . 0.0 109.878 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 47.1 t -97.47 107.92 20.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.871 -176.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.3 tt -95.89 105.91 17.99 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 173.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -94.04 -34.87 12.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.595 -176.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.68 139.44 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.82 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -136.86 133.73 36.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.919 177.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.539 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 13.2 m -85.0 98.17 6.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.458 0.647 . . . . 0.0 111.074 -177.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -93.33 104.92 17.05 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 175.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.553 ' OE2' ' HA ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -88.44 136.87 32.78 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.326 -172.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.504 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.6 p -134.19 121.53 38.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.498 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.504 ' HG3' HG22 ' A' ' 42' ' ' VAL . 43.0 mt-10 63.28 29.54 15.83 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.12 177.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.553 ' HA ' ' OE2' ' A' ' 41' ' ' GLU . 2.2 t-20 66.86 22.64 10.16 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.757 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.52 ' HD2' ' HB2' ' A' ' 84' ' ' ASP . 23.9 mmt180 -99.58 127.67 33.52 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.371 175.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.35 109.92 0.81 Allowed 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.7 2.267 . . . . 0.0 112.155 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.06 125.22 20.09 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.23 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.527 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 6.4 p -116.48 128.9 73.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.971 0.415 . . . . 0.0 110.627 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 20.3 m -96.85 113.96 25.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.635 -178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mp -98.74 153.34 18.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.882 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' NZ ' ' HB3' ' A' ' 51' ' ' LYS . 1.8 ttpm? -93.4 27.63 2.51 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 175.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 65.3 m 73.07 126.88 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.951 179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.557 ' H ' ' HB3' ' A' ' 56' ' ' LEU . 49.3 m -120.64 162.5 34.21 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.194 177.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.43 ' HB2' ' OE1' ' A' ' 55' ' ' GLU . 60.6 Cg_exo -52.04 -64.13 0.21 Allowed 'Trans proline' 0 CA--C 1.533 0.471 0 C-N-CA 122.555 2.17 . . . . 0.0 113.068 -177.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' OE1' ' HB2' ' A' ' 54' ' ' PRO . 3.4 mp0 -62.83 -29.91 71.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.205 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.557 ' HB3' ' H ' ' A' ' 53' ' ' SER . 3.4 tm? -63.25 -43.7 97.28 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.53 81.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.477 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -60.7 -51.8 67.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.642 0.734 . . . . 0.0 109.302 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' A' ' 64' ' ' HIS . 48.8 tp -59.05 -38.2 78.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.231 178.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 62.1 tp -66.52 -39.91 88.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.454 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -68.03 -49.25 62.62 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.798 0.295 . . . . 0.0 111.798 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.31 -16.48 39.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.353 -176.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 55.29 55.7 7.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.615 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.522 ' HB2' HD12 ' A' ' 59' ' ' LEU . 24.6 m80 -78.37 -12.04 59.98 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.415 0.626 . . . . 0.0 109.932 175.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.9 m -148.16 136.67 21.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.002 -0.999 . . . . 0.0 108.344 173.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -81.07 114.09 19.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.169 0.509 . . . . 0.0 111.392 -175.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.533 HG23 ' HA ' ' A' ' 81' ' ' VAL . 11.2 p -102.33 -22.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.094 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 57.16 95.84 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.256 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.198 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.5 74.53 2.65 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.545 2.163 . . . . 0.0 111.878 177.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.9 t -145.97 112.74 6.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.748 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.48 ' H ' ' HB3' ' A' ' 75' ' ' LYS . 4.9 tpt180 -153.8 136.31 15.08 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -179.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -66.65 -22.06 66.1 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 123.403 0.44 . . . . 0.0 111.232 -175.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 79.7 mt -66.99 -77.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.365 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -163.26 95.17 0.84 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.48 ' HB3' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -67.53 -22.42 65.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.027 -176.028 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -87.36 4.91 41.12 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -174.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -145.67 -40.69 0.23 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.821 0.344 . . . . 0.0 111.009 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -100.25 135.02 42.32 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.0 m -124.95 126.45 45.5 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.057 0.456 . . . . 0.0 109.805 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 49' ' ' SER . 50.5 m -105.14 122.49 46.02 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.176 -177.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.533 ' HA ' HG23 ' A' ' 67' ' ' VAL . 48.0 t -85.67 111.39 20.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.867 -179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -88.47 98.17 11.48 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.69 178.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.98 36.95 2.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.076 0.465 . . . . 0.0 110.751 -178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.52 ' HB2' ' HD2' ' A' ' 45' ' ' ARG . 4.8 p-10 -78.18 -27.36 47.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.083 -177.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -151.4 27.08 0.97 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.998 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.6 t -165.84 -167.92 1.19 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.428 ' HG ' ' CG1' ' A' ' 81' ' ' VAL . 3.7 mm? 62.94 98.02 0.04 OUTLIER Pre-proline 0 C--O 1.234 0.282 0 O-C-N 123.773 0.671 . . . . 0.0 111.648 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -61.0 153.18 65.86 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.705 2.27 . . . . 0.0 112.004 178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -58.55 -46.55 86.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.527 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.3 m -63.32 -31.1 72.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.112 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.492 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 6.5 tp60 -68.79 -44.83 72.81 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.5 mt -66.45 -43.51 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.056 177.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -50.32 -43.9 53.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.213 176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -68.26 -43.45 77.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.322 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 97.1 mt -72.16 -39.52 68.65 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -174.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.773 HG21 HD11 ' A' ' 6' ' ' LEU . 92.3 t -63.53 -44.25 98.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 111.327 -177.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -32.12 72.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.74 70.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.349 0.595 . . . . 0.0 110.342 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 102' ' ' GLN . 18.1 m -73.94 -34.49 64.33 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.344 178.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.422 ' O ' HG23 ' A' ' 104' ' ' VAL . 66.4 t80 -73.34 -35.84 66.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.119 174.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -53.49 -52.44 59.55 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.138 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.446 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 8.7 pt20 -60.69 -33.73 73.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -65.18 -40.28 94.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.65 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 100' ' ' TYR . 52.2 t -64.76 -31.09 52.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.243 0.544 . . . . 0.0 110.702 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -76.86 -24.43 52.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.676 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 97.7 mt -86.39 -13.24 46.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.725 HD11 HG11 ' A' ' 31' ' ' VAL . 93.2 mt -82.93 136.14 44.56 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.649 178.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.595 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 23.8 Cg_exo -64.81 170.94 9.3 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.845 2.364 . . . . 0.0 112.267 177.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 6.3 tp10 -55.38 -45.76 76.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.986 -177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -48.09 -49.96 29.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.625 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.595 ' HD3' ' HD2' ' A' ' 108' ' ' PRO . 4.3 mptp? -68.67 -47.08 67.42 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.556 -177.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.57 ' O ' HG23 ' A' ' 116' ' ' VAL . 35.8 mtp85 -59.26 -39.43 82.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.879 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.808 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 9.8 mmpt? -60.61 -34.59 74.46 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.887 0.375 . . . . 0.0 111.271 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.43 -43.51 66.6 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.77 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 81.3 mt -62.94 -27.81 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.827 -176.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 112' ' ' ARG . 87.1 t -59.66 -38.25 74.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.772 0.32 . . . . 0.0 111.285 -178.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.642 HE21 ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -75.41 -28.15 59.3 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.027 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.606 -0.711 . . . . 0.0 111.316 -174.563 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.692 0.282 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.0 162.97 16.93 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 177.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.0 mm -57.77 -36.9 56.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.302 . . . . 0.0 110.99 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 m -60.07 -53.87 52.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.688 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.38 -41.09 96.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.738 0.304 . . . . 0.0 110.701 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -60.63 -49.85 75.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.041 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.36 -47.37 86.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.218 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.64 -41.6 95.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.051 -178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -64.28 -42.13 96.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.028 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 77.8 m -61.67 -46.81 88.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.208 -178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.8 ttt -71.12 -19.27 62.47 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 121.061 0.458 . . . . 0.0 110.824 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.67 -12.59 59.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 11.2 mmmm -88.87 121.72 69.58 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 53.4 Cg_exo -52.53 130.17 35.26 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.207 2.605 . . . . 0.0 113.272 -174.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 104.82 -10.97 49.24 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.945 175.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.21 104.64 6.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.955 0.407 . . . . 0.0 111.764 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.63 124.89 50.28 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 173.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -91.95 120.69 32.85 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.055 0.455 . . . . 0.0 111.878 -173.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.0 m -116.88 117.29 29.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.502 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -93.7 121.49 44.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.676 0.751 . . . . 0.0 112.229 -175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 26' ' ' ALA . 12.0 t60 -85.91 122.9 30.62 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 170.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.415 ' CG ' ' H ' ' A' ' 23' ' ' ASP . 53.3 t30 -74.33 -152.7 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.461 -175.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' H ' ' CG ' ' A' ' 22' ' ' ASN . 22.6 t70 74.58 -68.88 0.2 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.255 0.622 . . . . 0.0 111.044 179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.492 ' HZ3' ' HE1' ' A' ' 72' ' ' HIS . 0.3 OUTLIER -113.53 2.13 15.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.217 177.457 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.5 mttt 64.5 87.97 0.11 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.641 0.734 . . . . 0.0 110.758 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.753 ' HB1' ' HG2' ' A' ' 40' ' ' LYS . . . -124.47 107.36 11.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.404 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 38' ' ' MET . 19.4 m -83.28 116.31 22.37 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.49 ' HB3' HD13 ' A' ' 35' ' ' LEU . 77.6 mt-30 -91.48 120.39 32.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.095 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.5 mt -91.17 107.83 19.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HD2' ' HA ' ' A' ' 33' ' ' ASP . 23.8 ttpt -140.29 145.4 37.21 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.039 -168.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.517 HG22 ' HB ' ' A' ' 34' ' ' VAL . 16.1 m -79.89 -137.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 171.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -52.02 -59.8 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 110.326 174.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.542 ' HA ' ' HD2' ' A' ' 30' ' ' LYS . 16.9 t70 -159.74 73.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.152 0.501 . . . . 0.0 110.21 170.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.525 ' H ' ' HG3' ' A' ' 30' ' ' LYS . 95.0 t -148.4 116.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.053 176.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 38' ' ' MET . 38.1 tp -97.83 108.99 21.83 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -106.89 -22.58 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.512 -177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 49' ' ' SER . . . -163.79 145.08 8.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.235 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.573 ' HB3' HD11 ' A' ' 35' ' ' LEU . 0.0 OUTLIER -157.74 138.43 13.04 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-O 121.01 0.433 . . . . 0.0 111.448 178.329 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -90.2 135.26 26.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.813 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.753 ' HG2' ' HB1' ' A' ' 26' ' ' ALA . 22.0 mtmm -139.8 148.12 41.73 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 -176.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 18.3 tt0 -99.08 110.22 22.84 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 171.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.436 HG22 ' HG3' ' A' ' 43' ' ' GLU . 3.8 p -142.97 142.48 26.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 -177.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 42' ' ' VAL . 54.2 mt-10 62.07 26.23 15.78 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 -172.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 55.08 36.34 26.75 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.939 -1.028 . . . . 0.0 109.929 -174.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.451 ' HB3' ' CD2' ' A' ' 82' ' ' TYR . 7.5 ttt85 -137.85 135.67 19.1 Favored Pre-proline 0 N--CA 1.449 -0.514 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.086 -175.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 16.8 Cg_exo -67.25 111.35 2.24 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.573 2.182 . . . . 0.0 111.376 177.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 82' ' ' TYR . . . -125.42 132.81 52.67 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.21 0.529 . . . . 0.0 112.011 -176.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -115.45 134.39 58.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 23.6 m -118.73 136.93 53.69 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.877 -176.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.31 143.89 32.85 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.019 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -60.37 140.97 56.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 169.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 11.3 m -41.5 104.93 0.04 OUTLIER 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.821 0.701 . . . . 0.0 112.498 -176.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.588 ' HB3' HD23 ' A' ' 56' ' ' LEU . 33.0 t -108.54 145.41 31.54 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.182 177.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 8.8 Cg_endo -51.61 -58.83 1.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.921 2.414 . . . . 0.0 112.436 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -66.0 -30.37 70.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.318 -175.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' ' 53' ' ' SER . 4.4 mm? -67.93 -43.28 79.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 110.478 177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 60' ' ' LEU . . . -71.01 -33.5 70.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 0.0 110.548 177.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.07 -43.81 95.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.651 175.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.02 -40.49 93.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.673 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 57' ' ' ALA . 84.4 mt -60.87 -30.5 70.18 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.925 -179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.458 ' HA ' ' HD3' ' A' ' 61' ' ' ARG . 18.2 mmt180 -76.25 -30.92 58.05 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -176.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -94.03 -48.75 6.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.723 0.297 . . . . 0.0 111.356 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -92.91 155.89 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.454 -176.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -161.94 3.73 0.05 Allowed 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.859 0.688 . . . . 0.0 112.859 -175.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.2 p -122.24 15.74 10.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.075 0.464 . . . . 0.0 111.108 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.12 -61.39 0.42 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.346 -177.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.9 p -65.15 135.42 28.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.357 0.599 . . . . 0.0 110.464 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.507 ' HG2' ' CE1' ' A' ' 82' ' ' TYR . 10.7 tpt180 -103.32 117.99 58.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.939 -175.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -82.6 42.58 1.33 Allowed 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.712 2.275 . . . . 0.0 111.655 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' A' ' 73' ' ' LEU . 10.1 t 56.38 -156.31 0.28 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.234 -177.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 71' ' ' ARG . 13.3 ttm180 -142.32 -83.72 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.167 -0.308 . . . . 0.0 110.167 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.492 ' HE1' ' HZ3' ' A' ' 24' ' ' TRP . 33.8 p80 -96.61 -15.71 21.39 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -177.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.426 ' HB2' ' OG ' ' A' ' 70' ' ' SER . 86.1 mt -61.67 -77.67 0.04 OUTLIER 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.657 0.265 . . . . 0.0 110.788 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -164.31 143.41 7.44 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -87.12 -40.39 14.69 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -120.38 -28.3 5.03 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 -170.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -73.71 -19.18 60.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.917 0.389 . . . . 0.0 110.247 -177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -137.81 161.04 37.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.068 176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 49' ' ' SER . 11.9 m -125.66 125.71 43.52 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 170.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 44.1 m -116.44 116.84 28.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.027 0.441 . . . . 0.0 112.126 -168.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.5 t -104.42 119.45 53.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.901 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 86.9 m-85 -88.19 135.59 33.37 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.0 mt -79.69 76.46 6.33 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.111 0.481 . . . . 0.0 110.706 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.38 -89.52 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.857 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -155.6 38.15 0.62 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.96 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.3 t -145.8 -168.77 3.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 88' ' ' PRO . 3.9 mm? 57.55 91.58 0.07 OUTLIER Pre-proline 0 CA--C 1.527 0.085 0 O-C-N 123.829 0.706 . . . . 0.0 110.998 -176.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.458 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 19.1 Cg_endo -58.74 158.48 24.06 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.643 2.228 . . . . 0.0 112.622 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.477 ' HA ' HD12 ' A' ' 92' ' ' ILE . 2.2 m-20 -52.17 -33.88 42.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.371 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.4 p -58.31 -46.67 85.73 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.378 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.488 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 77.4 mm-40 -66.98 -34.11 77.04 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 120.934 0.397 . . . . 0.0 110.5 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 89' ' ' ASP . 68.4 mt -62.67 -38.35 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.704 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -58.24 -46.08 86.6 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.753 0.311 . . . . 0.0 110.367 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -58.86 -49.82 76.31 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.679 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 96.3 mt -53.3 -48.25 68.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.678 -176.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -74.07 -43.11 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -74.44 -37.42 63.28 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.086 -176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.65 -44.95 96.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.623 0.249 . . . . 0.0 111.265 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.756 ' HA ' HE21 ' A' ' 102' ' ' GLN . 19.0 p -66.85 -35.41 79.98 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.49 ' O ' HG23 ' A' ' 104' ' ' VAL . 51.6 t80 -61.54 -47.05 87.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.423 176.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.63 -34.7 73.13 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.113 176.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.756 HE21 ' HA ' ' A' ' 99' ' ' SER . 43.0 mt-30 -58.02 -37.33 74.12 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.156 0.285 . . . . 0.0 110.74 178.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.497 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -75.96 -44.91 37.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.745 0.307 . . . . 0.0 110.747 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 100' ' ' TYR . 95.7 t -55.85 -44.55 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.338 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -77.12 -16.35 59.21 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.248 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 71.1 mt -86.42 -18.43 31.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.907 0.384 . . . . 0.0 110.674 178.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.654 ' HB3' ' HB3' ' A' ' 111' ' ' LYS . 91.7 mt -76.74 140.67 67.76 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.511 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.61 ' HD2' ' HB2' ' A' ' 111' ' ' LYS . 8.2 Cg_exo -72.96 175.89 9.81 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.005 2.47 . . . . 0.0 112.469 178.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -51.74 -52.97 44.59 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.857 -176.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -55.93 -45.98 78.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.237 -178.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.654 ' HB3' ' HB3' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -64.7 -38.97 92.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.274 -179.888 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 116' ' ' VAL . 69.1 mtp180 -70.82 -27.06 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.37 -177.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 113' ' ' LYS . 36.0 mmtm -62.47 -37.75 87.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.789 0.328 . . . . 0.0 110.846 178.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 87.3 mt -61.49 -41.18 96.89 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.755 177.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 107' ' ' LEU . 75.0 mt -65.51 -27.22 68.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.225 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 112' ' ' ARG . 64.0 t -79.69 -36.46 17.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.906 0.384 . . . . 0.0 110.601 178.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -72.3 -40.5 67.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.233 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 96.8 mt . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.718 -0.658 . . . . 0.0 111.626 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.8 p -82.32 145.44 29.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.053 0.454 . . . . 0.0 111.897 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.403 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 42.4 mm -65.47 -28.3 43.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.299 -177.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.4 t -57.44 -40.75 79.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.025 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -67.06 -40.01 87.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.991 0.424 . . . . 0.0 110.476 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.88 -47.32 81.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.062 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 92.2 mt -60.26 -43.83 95.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.315 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -66.53 -34.51 78.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.861 0.363 . . . . 0.0 110.556 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -64.76 -32.52 74.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.3 m -72.64 -40.18 66.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.387 177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.42 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 2.3 mmt -67.28 -20.07 65.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.34 -7.1 56.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.021 178.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -93.98 114.39 63.04 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.693 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -65.2 105.87 0.75 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.725 2.283 . . . . 0.0 112.846 -176.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.4 -21.42 5.72 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.402 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.73 130.08 41.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.17 0.509 . . . . 0.0 111.595 -178.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.1 124.67 46.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.397 177.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -105.99 120.61 42.22 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.967 0.413 . . . . 0.0 110.764 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -121.79 117.17 25.9 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.581 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 5.1 p -81.96 132.15 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.101 0.476 . . . . 0.0 110.349 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.12 117.46 29.87 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.747 176.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -60.95 -29.87 69.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 123.217 0.323 . . . . 0.0 111.559 -175.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -80.41 -4.13 52.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.786 -175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -130.82 -17.33 3.19 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt 60.66 29.09 18.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.464 0.65 . . . . 0.0 110.195 -174.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.733 ' HB1' ' HA ' ' A' ' 40' ' ' LYS . . . -122.74 151.6 41.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.777 -175.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 26.0 m -98.48 118.27 34.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.206 0.527 . . . . 0.0 111.654 -174.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' HG2' ' HB2' ' A' ' 38' ' ' MET . 27.0 mt-30 -100.08 128.7 46.12 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.9 mt -104.2 116.59 48.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.164 0.507 . . . . 0.0 110.994 -171.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 33' ' ' ASP . 7.3 ptpt -120.83 169.67 10.21 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.224 -179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.795 HG11 HD11 ' A' ' 107' ' ' LEU . 2.3 t -89.75 -133.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 168.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -41.81 88.26 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.064 0.459 . . . . 0.0 109.994 172.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 32.5 t70 -154.62 -14.68 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.91 172.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.3 t -72.29 118.06 16.72 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.877 0.37 . . . . 0.0 110.989 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.9 tp -91.4 112.38 24.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.948 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -100.56 -45.34 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.413 -178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.34 162.89 39.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.675 0.274 . . . . 0.0 110.598 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.456 ' SD ' ' HD2' ' A' ' 40' ' ' LYS . 21.3 ptt? -156.73 130.89 8.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.714 0.292 . . . . 0.0 111.158 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 48' ' ' VAL . 5.5 p -90.41 116.86 32.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 175.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.733 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 40.0 mtpt -138.96 111.23 7.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.824 0.345 . . . . 0.0 110.642 -173.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -75.75 112.7 12.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.21 0.529 . . . . 0.0 110.541 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.69 132.01 57.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 68.51 23.27 7.43 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 121.268 0.556 . . . . 0.0 109.627 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 t30 61.46 29.18 18.31 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.977 -175.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -114.11 114.0 46.23 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.778 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.627 ' HD2' ' HB2' ' A' ' 84' ' ' ASP . 50.1 Cg_exo -54.02 122.58 11.66 Favored 'Trans proline' 0 C--O 1.239 0.532 0 C-N-CA 123.27 2.647 . . . . 0.0 112.787 -177.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -163.33 141.46 7.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.174 0.511 . . . . 0.0 111.701 -176.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 7.7 p -115.03 135.2 55.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.285 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.1 m -102.83 116.13 31.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.978 0.418 . . . . 0.0 111.253 -174.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 50' ' ' LEU . 5.9 mp -103.37 165.44 11.03 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 174.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -91.09 -171.57 3.03 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 171.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.7 m -61.29 98.0 0.07 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.374 0.607 . . . . 0.0 111.484 -177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.5 ' HB3' ' HB2' ' A' ' 56' ' ' LEU . 22.6 t -110.24 140.79 22.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.382 178.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.42 -65.75 0.14 Allowed 'Trans proline' 0 CA--C 1.53 0.31 0 C-N-CA 123.456 2.77 . . . . 0.0 113.665 -173.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.27 -30.5 70.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.571 0.224 . . . . 0.0 111.597 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 53' ' ' SER . 4.2 mm? -67.52 -50.53 58.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 0.0 110.497 177.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.26 -43.23 87.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -56.01 -39.93 72.64 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.4 tp -62.55 -52.25 64.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.801 -179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.7 -29.16 62.11 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.64 -177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -65.26 -43.48 91.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.809 0.337 . . . . 0.0 110.733 -177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -85.67 -49.33 8.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.787 177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -106.15 89.6 3.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.176 0.512 . . . . 0.0 110.724 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -87.57 77.19 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.077 -179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -145.6 156.39 43.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.927 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.0 t70 74.43 -55.63 0.65 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.079 0.952 . . . . 0.0 112.901 171.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 5.7 p -58.21 -48.39 84.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -173.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 67' ' ' VAL . 10.3 ptt180 67.07 152.0 0.12 Allowed Pre-proline 0 N--CA 1.473 0.681 0 C-N-CA 123.875 0.87 . . . . 0.0 111.254 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.15 111.46 1.1 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.418 2.078 . . . . 0.0 112.044 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.492 ' CB ' ' HB ' ' A' ' 80' ' ' THR . 12.9 m -86.02 99.24 11.32 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.453 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -77.45 82.28 3.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.072 0.463 . . . . 0.0 111.307 -176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.672 ' HE1' HG21 ' A' ' 80' ' ' THR . 21.1 m80 -96.51 -49.38 5.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.213 0.53 . . . . 0.0 109.657 170.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.412 HD12 ' HB3' ' A' ' 72' ' ' HIS . 5.2 mp -143.48 -62.7 0.4 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.162 -0.927 . . . . 0.0 108.582 175.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.675 HD21 ' HB2' ' A' ' 78' ' ' TRP . 0.3 OUTLIER -108.78 156.32 19.76 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.332 176.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -82.92 -32.09 27.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.101 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.94 94.7 2.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.113 0.482 . . . . 0.0 111.952 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.446 ' HB3' ' OD1' ' A' ' 74' ' ' ASN . 11.4 t-80 -177.67 -56.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 172.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.675 ' HB2' HD21 ' A' ' 74' ' ' ASN . 55.3 m95 -80.06 150.66 30.25 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 161.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 m -125.95 126.2 43.96 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.672 HG21 ' HE1' ' A' ' 72' ' ' HIS . 54.0 m -109.93 124.34 51.21 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.233 0.54 . . . . 0.0 111.404 -174.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.9 t -96.42 108.52 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.448 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -64.67 102.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.734 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.73 -22.55 66.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.322 0.582 . . . . 0.0 109.84 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.627 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 12.5 t70 -58.72 -27.64 65.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.36 174.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.44 -12.02 60.54 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.448 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 29.7 m 67.56 86.91 0.13 Allowed 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.281 0.563 . . . . 0.0 111.208 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -102.58 152.15 38.35 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.685 177.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.57 144.56 41.36 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.677 2.251 . . . . 0.0 112.165 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -60.39 -33.18 72.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.274 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.0 m -61.91 -30.59 70.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.518 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.494 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 15.3 mm-40 -66.48 -34.7 78.52 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 120.888 0.375 . . . . 0.0 110.941 -179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 mp -64.87 -39.46 85.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -57.14 -42.97 81.98 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.204 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -67.61 -51.21 52.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.979 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 91.6 mt -53.56 -47.31 70.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.953 -175.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.7 t -72.62 -47.8 49.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.392 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -68.12 -44.25 76.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.485 -173.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.39 90.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.934 0.397 . . . . 0.0 111.305 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.41 ' HA ' HE21 ' A' ' 102' ' ' GLN . 44.9 m -69.14 -39.0 79.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.447 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.511 ' O ' HG23 ' A' ' 104' ' ' VAL . 41.8 t80 -71.6 -38.5 70.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.457 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -42.9 79.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.195 179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.496 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 49.5 mt-30 -59.0 -42.07 89.19 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.799 178.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.66 -36.8 79.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.124 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 100' ' ' TYR . 94.6 t -61.81 -39.49 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.668 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -73.3 -16.87 61.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.901 0.381 . . . . 0.0 111.058 -178.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 91.8 mt -84.19 -11.41 56.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 0.0 110.601 177.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.795 HD11 HG11 ' A' ' 31' ' ' VAL . 98.1 mt -93.78 145.81 30.56 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.766 -178.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 16.4 Cg_exo -68.28 155.61 68.7 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 123.004 2.47 . . . . 0.0 112.328 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 113' ' ' LYS . 6.2 tp10 -49.1 -55.37 12.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.643 -177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -49.27 -50.21 39.93 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.902 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -63.21 -41.82 99.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.453 -175.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.464 ' O ' HG23 ' A' ' 116' ' ' VAL . 21.8 mtm180 -64.87 -37.71 88.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.181 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 109' ' ' GLU . 43.5 mtpt -65.14 -30.61 71.55 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.837 0.351 . . . . 0.0 110.778 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.03 -41.01 91.49 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.258 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.46 -30.57 71.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.886 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 112' ' ' ARG . 60.0 t -62.82 -29.28 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.227 0.537 . . . . 0.0 111.065 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -73.96 -25.76 60.11 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.711 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.729 -0.653 . . . . 0.0 110.877 -178.719 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HE2' ' HA ' ' A' ' 89' ' ' ASP . 50.2 ttp . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.5 p -116.49 171.18 8.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.918 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 39' ' ' VAL . 18.2 tt -70.44 -21.63 23.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.136 -177.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 m -58.23 -35.52 71.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.24 0.543 . . . . 0.0 110.666 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -73.32 -30.57 63.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.522 ' HG ' HG22 ' A' ' 92' ' ' ILE . 2.9 mm? -73.7 -30.92 63.15 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.598 176.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -43.81 78.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.102 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -63.05 -33.27 75.08 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -73.12 -32.74 65.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.986 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 73.4 m -60.37 -33.11 71.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.009 0.433 . . . . 0.0 110.759 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.4 mmt -76.53 -7.8 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.77 -12.11 49.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.971 0.415 . . . . 0.0 110.33 177.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -86.29 118.33 70.17 Favored Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.804 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -68.31 137.43 40.03 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.521 2.147 . . . . 0.0 112.186 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.28 -21.39 38.02 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.757 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.91 115.22 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.698 0.285 . . . . 0.0 110.785 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -119.79 165.32 14.72 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.283 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.567 ' HG2' HG12 ' A' ' 29' ' ' ILE . 20.0 mt-30 -107.99 142.25 38.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.8 -177.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.2 p -131.54 127.45 37.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.753 175.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.1 p -104.51 140.63 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.864 0.364 . . . . 0.0 110.449 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -119.36 136.23 54.36 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -77.14 95.96 4.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.164 -173.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -168.87 -69.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.53 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -92.53 -8.83 43.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.839 174.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.6 tttt 62.93 25.4 15.04 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 122.045 0.926 . . . . 0.0 108.951 -170.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.71 136.97 56.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.094 -178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.8 m -98.0 117.13 31.65 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -108.77 115.74 30.65 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.472 -176.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.567 HG12 ' HG2' ' A' ' 18' ' ' GLN . 31.7 mt -95.48 119.36 43.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.808 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -142.28 169.1 18.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.046 0.451 . . . . 0.0 110.987 -175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.51 -133.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 172.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -52.39 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.909 0.385 . . . . 0.0 110.217 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -142.2 14.0 2.03 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.289 0.566 . . . . 0.0 109.591 170.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.0 t -88.72 104.05 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.39 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.61 ' O ' ' HE3' ' A' ' 51' ' ' LYS . 55.5 tp -84.64 127.54 34.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.082 178.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -118.06 -26.27 6.44 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.563 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.4 145.71 19.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.904 0.383 . . . . 0.0 111.162 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -149.31 137.44 20.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.255 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG21 HD13 ' A' ' 3' ' ' ILE . 8.3 p -111.74 140.2 32.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.086 0.469 . . . . 0.0 111.434 -174.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HE2' ' HB2' ' A' ' 40' ' ' LYS . 0.9 OUTLIER -141.8 134.28 28.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.452 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -84.56 111.04 19.16 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.243 -0.583 . . . . 0.0 109.474 170.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.557 HG22 ' HG2' ' A' ' 43' ' ' GLU . 7.7 p -126.26 133.47 68.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.534 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.557 ' HG2' HG22 ' A' ' 42' ' ' VAL . 30.6 mm-40 62.44 19.91 11.5 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.401 -174.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 68.08 29.27 6.37 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.816 -175.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -119.04 130.72 24.68 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.526 172.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -68.4 107.76 1.66 Allowed 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.331 2.02 . . . . 0.0 111.047 174.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 80' ' ' THR . . . -122.59 126.6 48.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.129 0.49 . . . . 0.0 111.466 -174.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.3 p -115.08 138.45 45.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.509 ' HA ' ' O ' ' A' ' 79' ' ' SER . 2.7 p -110.71 122.65 48.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.886 0.374 . . . . 0.0 111.224 -178.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.11 160.33 14.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.947 176.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.61 ' HE3' ' O ' ' A' ' 35' ' ' LEU . 94.9 mttt -70.08 -61.79 1.64 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 170.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.9 t -174.74 156.21 2.27 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.15 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.662 ' HB2' HD23 ' A' ' 56' ' ' LEU . 44.8 m -155.08 146.46 16.78 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 176.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.53 -48.16 22.65 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.759 2.306 . . . . 0.0 112.739 -178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.8 mt-10 -75.25 -29.87 60.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.385 -178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.662 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -64.96 -46.59 80.9 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.683 0.278 . . . . 0.0 110.535 176.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.16 -30.44 70.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.069 0.461 . . . . 0.0 110.555 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -63.27 -51.67 65.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.867 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 92.8 mt -54.97 -40.19 69.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.511 178.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 95.9 mt -61.47 -30.25 70.48 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.049 0.452 . . . . 0.0 111.406 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -77.1 -32.88 56.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.057 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -91.8 -76.56 0.45 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.753 -176.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -69.8 144.07 52.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.009 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -155.75 20.02 0.39 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.834 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.9 p -101.58 -51.63 3.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.942 177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.67 -61.87 1.55 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.325 177.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.8 p -87.0 128.51 39.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 120.998 0.428 . . . . 0.0 110.71 176.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 0.0 OUTLIER -160.54 143.95 10.06 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.707 176.01 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 16.3 Cg_exo -68.26 116.88 4.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.758 2.305 . . . . 0.0 112.021 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.5 t -155.84 -159.87 0.96 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.691 ' HE ' ' HA ' ' A' ' 71' ' ' ARG . 0.3 OUTLIER 75.44 156.3 0.18 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.057 0.943 . . . . 0.0 110.634 -179.424 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 11.0 t-80 -68.63 -16.14 63.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.727 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.43 -179.23 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.915 0.388 . . . . 0.0 110.992 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -74.22 92.85 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.637 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -69.81 -24.08 63.42 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.739 -178.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.28 19.56 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.403 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -147.44 -32.86 0.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.092 -0.243 . . . . 0.0 111.108 178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -120.15 149.45 42.21 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' SER . 15.5 m -125.83 126.17 44.07 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.982 0.42 . . . . 0.0 109.954 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.404 ' CG2' ' HB1' ' A' ' 47' ' ' ALA . 96.2 m -110.39 118.28 35.86 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.3 -178.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.8 t -105.08 129.13 58.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.505 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.485 ' HE1' HG13 ' A' ' 42' ' ' VAL . 98.8 m-85 -86.0 111.27 20.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.91 176.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.526 HD22 HG12 ' A' ' 92' ' ' ILE . 92.7 mt -96.76 48.82 1.07 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.018 0.437 . . . . 0.0 111.025 -175.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -100.22 68.13 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 0.0 110.673 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.72 -8.39 28.59 Favored Glycine 0 CA--C 1.519 0.309 0 CA-C-N 115.525 -0.761 . . . . 0.0 113.529 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.4 p -77.34 -46.49 22.72 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 87' ' ' LEU . 4.0 mm? -89.39 142.14 29.47 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.826 -177.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.466 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 60.2 Cg_endo -73.87 164.64 34.1 Favored 'Trans proline' 0 C--O 1.238 0.496 0 C-N-CA 122.635 2.223 . . . . 0.0 112.263 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.404 ' HA ' ' HE2' ' A' ' 1' ' ' MET . 5.0 p-10 -52.9 -47.49 67.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.444 -175.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m -62.37 -33.68 75.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.856 -172.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.608 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 15.8 mm100 -70.63 -39.44 73.68 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.835 0.35 . . . . 0.0 110.516 179.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.526 HG12 HD22 ' A' ' 83' ' ' LEU . 61.9 mt -65.89 -41.21 89.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.763 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -61.16 -43.16 99.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.94 0.4 . . . . 0.0 110.411 176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -58.6 -43.44 89.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.252 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 78.9 mt -55.46 -45.01 76.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.505 -177.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -77.26 -50.64 20.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.525 -176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -67.12 -42.99 83.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.537 -173.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.0 -45.29 82.12 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.676 0.274 . . . . 0.0 111.544 -176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.597 ' HA ' HE21 ' A' ' 102' ' ' GLN . 35.3 m -61.37 -42.02 98.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 104' ' ' VAL . 76.2 t80 -65.92 -46.57 77.76 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.852 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -54.35 47.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 -175.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.597 HE21 ' HA ' ' A' ' 99' ' ' SER . 26.4 pt20 -63.14 -32.75 74.22 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -175.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.94 78.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.823 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 100' ' ' TYR . 93.9 t -66.56 -36.77 78.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.855 179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -66.23 -22.14 66.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 93.3 mt -87.26 -5.42 58.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.476 -176.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 91.3 mt -83.49 148.96 56.63 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.065 -178.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.486 ' HG2' ' HG2' ' A' ' 111' ' ' LYS . 41.7 Cg_endo -68.81 173.89 9.45 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 123.0 2.467 . . . . 0.0 113.687 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -49.66 -52.03 33.77 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.747 -1.115 . . . . 0.0 111.754 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -54.32 -52.94 59.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.373 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.486 ' HG2' ' HG2' ' A' ' 108' ' ' PRO . 29.4 mmmt -66.53 -50.67 62.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.007 -176.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.536 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.1 OUTLIER -49.91 -41.69 46.5 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.122 178.153 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -54.26 -51.99 62.8 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.454 0.471 . . . . 0.0 111.31 -178.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.46 -41.07 98.49 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.143 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.411 HD13 HG13 ' A' ' 104' ' ' VAL . 92.1 mt -64.49 -26.19 68.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.537 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 112' ' ' ARG . 94.3 t -77.93 -38.82 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.605 0.24 . . . . 0.0 110.436 177.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -62.68 -48.59 78.64 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.796 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.769 -0.634 . . . . 0.0 111.171 -173.849 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 121.048 0.451 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.1 158.15 15.59 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.126 -175.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.44 HD11 ' HB3' ' A' ' 46' ' ' PRO . 40.7 mm -61.87 -35.39 67.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.225 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 m -57.1 -39.48 75.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.061 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -69.88 -43.34 72.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.448 179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -65.33 -39.34 92.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.055 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.78 -51.1 70.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.094 177.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -63.88 -31.52 72.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.851 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -64.02 -35.69 81.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.262 176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.2 m -73.26 -37.23 66.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.38 -9.18 58.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.036 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.89 -3.75 58.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.052 0.453 . . . . 0.0 110.436 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 69.3 mmtt -100.13 123.1 48.12 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.96 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 22.5 Cg_exo -64.89 130.0 24.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.724 2.282 . . . . 0.0 112.384 -178.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.88 -16.43 58.5 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.997 -0.621 . . . . 0.0 113.085 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.07 139.53 30.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.825 0.345 . . . . 0.0 110.915 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -144.01 165.41 27.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.311 178.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -90.08 149.58 22.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.294 0.569 . . . . 0.0 111.874 -174.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.685 ' HB2' ' HB2' ' A' ' 28' ' ' GLN . 37.6 m -145.58 160.32 41.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.271 -0.877 . . . . 0.0 108.676 172.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' ALA . 12.6 p -150.78 149.26 14.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.05 0.453 . . . . 0.0 111.408 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -135.73 143.69 45.48 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.83 173.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -81.95 116.51 21.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.218 0.532 . . . . 0.0 112.071 -174.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.3 t70 179.63 -65.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.845 -1.071 . . . . 0.0 108.363 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -128.51 20.26 6.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.911 -1.041 . . . . 0.0 110.17 176.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.8 tttt 52.29 74.45 0.27 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.752 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' A' ' 20' ' ' VAL . . . -95.49 107.17 19.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.538 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 27.0 m -80.93 116.05 20.71 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.685 ' HB2' ' HB2' ' A' ' 19' ' ' SER . 46.4 mt-30 -106.54 137.86 43.77 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.69 -171.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.8 mt -112.42 109.73 29.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.396 179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.6 pttt -139.01 164.82 28.74 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.899 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -92.9 -132.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 173.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -41.1 -69.26 0.14 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.215 0.531 . . . . 0.0 110.485 173.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -148.35 11.76 0.91 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.631 0.729 . . . . 0.0 109.519 171.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 50.8 t -82.7 100.79 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.166 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.4 tp -88.4 124.69 34.19 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.669 ' HB2' ' HB3' ' A' ' 99' ' ' SER . 16.8 p90 -115.4 -30.07 6.35 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.626 -178.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.27 150.03 19.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.976 0.417 . . . . 0.0 111.267 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.16 144.47 29.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.652 175.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' C ' ' HD3' ' A' ' 40' ' ' LYS . 11.2 p -108.15 135.9 45.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.311 0.577 . . . . 0.0 111.119 -176.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HB2' ' HE3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -128.57 160.24 33.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -178.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.58 111.56 17.82 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.496 HG22 ' HG2' ' A' ' 43' ' ' GLU . 11.9 p -144.0 143.82 23.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.015 -175.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HG2' HG22 ' A' ' 42' ' ' VAL . 41.4 mm-40 62.57 24.32 14.47 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.813 -179.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 69.2 22.92 6.55 Favored 'General case' 0 CA--C 1.519 -0.214 0 O-C-N 123.979 0.799 . . . . 0.0 110.429 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 48.6 mtt85 -135.44 131.67 19.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 45' ' ' ARG . 12.7 Cg_exo -70.48 126.83 13.25 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 122.649 2.233 . . . . 0.0 111.316 175.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.21 139.87 46.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.704 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.6 p -116.37 142.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.542 ' HA ' ' O ' ' A' ' 79' ' ' SER . 50.1 m -111.68 124.75 52.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.152 -178.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mp -112.01 160.38 17.53 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 173.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -91.16 136.28 33.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 174.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -56.42 98.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.462 0.648 . . . . 0.0 112.565 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.7 ' HB2' HD23 ' A' ' 56' ' ' LEU . 6.4 m -92.54 166.35 17.15 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.087 176.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HD2' ' HB3' ' A' ' 53' ' ' SER . 91.0 Cg_exo -42.83 -55.31 2.8 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.125 2.55 . . . . 0.0 113.563 -178.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -77.6 -40.43 42.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.654 0.264 . . . . 0.0 111.174 -178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.7 HD23 ' HB2' ' A' ' 53' ' ' SER . 3.8 mm? -62.99 -33.78 76.14 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.515 -177.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.12 -27.07 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 111.019 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -72.31 -39.38 68.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.052 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mp -54.55 -43.9 72.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.355 173.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.592 ' HA ' HG11 ' A' ' 67' ' ' VAL . 10.4 tt -69.03 -38.21 79.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.247 0.546 . . . . 0.0 110.223 177.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -61.81 -44.24 97.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.946 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -88.07 -50.18 6.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.894 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -98.29 104.93 17.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.234 0.54 . . . . 0.0 111.134 -175.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -89.55 0.49 56.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.647 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.5 m -97.19 -38.25 9.78 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -175.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.95 -26.3 34.11 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -171.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.592 HG11 ' HA ' ' A' ' 60' ' ' LEU . 12.0 p -118.18 145.43 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.302 0.572 . . . . 0.0 112.212 -171.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 36.7 mmt180 -120.24 141.05 31.04 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.927 173.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 68' ' ' ARG . 13.6 Cg_exo -70.7 -2.66 11.2 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.477 2.785 . . . . 0.0 113.827 -174.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.1 m 64.57 71.79 0.46 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.086 0.47 . . . . 0.0 111.489 177.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -76.38 13.97 0.85 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.264 -175.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -95.19 -16.85 22.23 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mp -122.67 -55.53 1.81 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.095 0.474 . . . . 0.0 110.7 -178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.518 ' C ' HD22 ' A' ' 74' ' ' ASN . 0.3 OUTLIER -128.84 -174.45 3.25 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.002 -175.167 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -82.72 -56.18 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 170.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.62 93.84 1.03 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 121.106 0.479 . . . . 0.0 111.501 174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.464 ' HB2' ' OD1' ' A' ' 74' ' ' ASN . 96.2 m-70 -139.31 -58.81 0.59 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 172.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -82.2 144.57 30.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 170.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.542 ' O ' ' HA ' ' A' ' 49' ' ' SER . 12.9 m -125.0 128.86 49.21 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.844 0.354 . . . . 0.0 110.555 -175.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.8 m -108.57 119.47 39.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.621 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.9 m -110.98 140.35 30.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.976 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -85.06 128.93 34.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.901 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 88.4 mt -83.32 9.97 9.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -129.59 93.6 3.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.66 -43.91 1.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.674 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 m -95.83 129.36 43.09 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.462 HD22 ' HG2' ' A' ' 91' ' ' GLN . 72.4 mt 65.06 126.91 0.03 OUTLIER Pre-proline 0 CA--C 1.535 0.396 0 CA-C-O 121.495 0.664 . . . . 0.0 111.975 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 23.7 Cg_exo -65.0 161.76 35.46 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.609 2.206 . . . . 0.0 111.5 176.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -64.79 -20.1 66.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.463 -175.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.4 t -70.49 -35.24 73.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.077 0.465 . . . . 0.0 110.378 176.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.462 ' HG2' HD22 ' A' ' 87' ' ' LEU . 7.0 tp60 -70.35 -30.56 67.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.73 -178.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.6 mt -54.74 -37.77 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.266 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -60.09 -45.45 92.9 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.974 0.416 . . . . 0.0 110.328 177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -58.91 -44.41 91.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.964 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.42 -40.45 74.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.389 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.35 -50.02 21.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 0.2 OUTLIER -69.18 -41.91 76.54 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -173.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.92 -41.84 92.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.821 -178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.669 ' HB3' ' HB2' ' A' ' 36' ' ' PHE . 19.0 m -64.89 -41.06 95.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.295 177.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.503 ' O ' HG23 ' A' ' 104' ' ' VAL . 59.3 t80 -66.54 -42.68 86.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.173 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 32.7 mm-40 -58.54 -43.85 89.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.576 0.227 . . . . 0.0 111.068 179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -62.2 -42.67 99.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.327 177.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.563 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -60.7 -42.11 96.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.474 -179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 100' ' ' TYR . 99.7 t -60.12 -36.41 67.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.031 0.443 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -77.08 -16.73 59.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.1 mt -92.02 -16.09 26.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.336 177.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 93.5 mt -75.13 135.78 73.16 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.479 178.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 17.4 Cg_exo -68.01 168.18 19.64 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 122.969 2.446 . . . . 0.0 112.709 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.535 ' HG3' ' HE2' ' A' ' 113' ' ' LYS . 7.8 tp10 -48.89 -52.56 23.74 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.917 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -52.6 -42.09 64.24 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.357 -176.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 111' ' ' LYS . 4.5 mptp? -72.4 -44.7 62.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.108 -178.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.453 HH11 ' HD3' ' A' ' 112' ' ' ARG . 49.6 mtp180 -59.93 -31.95 70.33 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.849 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.535 ' HE2' ' HG3' ' A' ' 109' ' ' GLU . 59.2 mmtt -60.54 -44.6 95.93 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 121.149 0.499 . . . . 0.0 110.377 177.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 83.8 mt -63.35 -39.57 94.9 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.127 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.8 mt -58.77 -29.39 66.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.222 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.09 -33.41 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.069 0.462 . . . . 0.0 110.711 178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -72.43 -37.23 68.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.972 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 96.9 mt . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.581 -0.723 . . . . 0.0 111.481 -176.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.577 ' HB2' ' HB3' ' A' ' 89' ' ' ASP . 10.0 tmm? . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.76 175.81 5.36 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.782 -171.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.4 mm -54.5 -33.39 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.859 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 p -58.36 -45.71 87.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.994 0.426 . . . . 0.0 111.118 178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.536 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 28.0 mt-10 -77.46 -42.01 37.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.368 179.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 tt -54.46 -48.75 71.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.653 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.678 HD21 HG21 ' A' ' 27' ' ' THR . 0.9 OUTLIER -55.01 -48.03 73.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.572 -177.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -66.92 -35.97 81.2 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.249 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -64.85 -42.3 95.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.689 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 83.4 m -65.26 -35.25 80.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.071 179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.431 ' SD ' ' HB2' ' A' ' 18' ' ' GLN . 29.6 mmt -79.26 -10.7 59.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.124 -177.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.43 -8.87 59.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.184 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -114.01 118.69 42.09 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.662 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.06 145.05 66.16 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.177 2.585 . . . . 0.0 112.561 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.07 -21.41 29.36 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.795 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.31 122.87 42.01 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.109 0.481 . . . . 0.0 111.259 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -106.63 142.13 36.78 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.373 175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.495 HE21 HD11 ' A' ' 7' ' ' LEU . 19.2 tt0 -89.77 135.69 33.48 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.8 p -146.15 122.55 10.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.3 p -93.09 128.6 44.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -99.83 97.38 8.3 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.82 101.35 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.298 0.571 . . . . 0.0 110.144 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 t70 172.1 -65.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 -173.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -88.35 -23.1 23.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.977 -1.01 . . . . 0.0 108.597 169.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? 59.43 71.98 0.55 Allowed 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.864 -171.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.593 ' HB1' ' O ' ' A' ' 39' ' ' VAL . . . -150.09 177.86 9.5 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 114.651 -1.158 . . . . 0.0 109.703 -176.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.678 HG21 HD21 ' A' ' 7' ' ' LEU . 22.8 m -108.1 128.7 54.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.388 0.613 . . . . 0.0 112.0 -173.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.588 ' HG2' ' HG3' ' A' ' 38' ' ' MET . 7.7 mt-30 -105.79 128.04 53.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.206 172.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.2 mt -99.33 108.8 23.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.657 ' HB3' HD23 ' A' ' 35' ' ' LEU . 11.9 ptmm? -133.01 161.47 34.27 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.22 -171.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.82 HG11 HD11 ' A' ' 107' ' ' LEU . 2.3 t -87.12 -134.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 168.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.91 -57.02 14.91 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.945 0.402 . . . . 0.0 110.296 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -146.42 14.35 1.25 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.849 0.833 . . . . 0.0 109.823 174.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.0 t -97.51 116.39 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.183 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.657 HD23 ' HB3' ' A' ' 30' ' ' LYS . 33.9 mt -93.01 129.81 38.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.651 177.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.601 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 55.3 p90 -124.45 -9.15 7.46 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.943 176.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.3 140.85 11.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.937 0.399 . . . . 0.0 111.041 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.588 ' HG3' ' HG2' ' A' ' 28' ' ' GLN . 26.6 ttm -151.0 116.32 5.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.96 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.593 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 8.0 p -107.31 132.98 53.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.803 0.335 . . . . 0.0 110.743 -176.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -127.8 159.23 35.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.228 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -106.25 110.73 23.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.144 0.497 . . . . 0.0 109.733 172.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.554 HG22 ' HG3' ' A' ' 43' ' ' GLU . 7.1 p -123.12 132.8 70.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 108.698 -0.852 . . . . 0.0 108.698 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.554 ' HG3' HG22 ' A' ' 42' ' ' VAL . 38.1 mt-10 61.15 24.59 14.68 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -174.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.2 t30 67.38 23.88 9.06 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.534 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 34.4 ptt180 -129.94 141.17 40.94 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.827 0.346 . . . . 0.0 110.375 174.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.468 ' HB2' HD12 ' A' ' 83' ' ' LEU . 15.0 Cg_exo -69.12 126.38 13.66 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.258 2.639 . . . . 0.0 113.043 -176.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.45 127.81 38.17 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.611 175.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 39' ' ' VAL . 12.6 p -115.32 142.43 28.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.933 0.397 . . . . 0.0 110.769 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.609 ' HB3' ' HB3' ' A' ' 78' ' ' TRP . 18.7 m -110.91 123.33 49.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.753 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.499 HD22 HD11 ' A' ' 56' ' ' LEU . 8.3 mp -113.76 176.56 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.648 176.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -89.83 155.55 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 84.8 m -62.76 103.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.118 0.485 . . . . 0.0 111.215 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.577 ' HB3' HD23 ' A' ' 56' ' ' LEU . 35.8 t -117.46 147.99 41.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.461 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -46.63 -55.14 4.05 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.304 2.669 . . . . 0.0 113.353 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -72.94 -28.54 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 53' ' ' SER . 3.9 mm? -63.14 -35.52 80.57 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.229 173.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.25 -38.51 65.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.94 0.4 . . . . 0.0 110.034 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -54.29 -48.43 71.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.714 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.0 tp -52.69 -51.56 59.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.398 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.99 -29.69 70.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.77 0.319 . . . . 0.0 111.68 -178.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -72.68 -44.24 62.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.558 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -87.17 -35.52 18.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.489 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -118.08 96.39 5.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.221 0.534 . . . . 0.0 110.658 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -120.92 72.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.013 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.7 p -101.75 -67.32 0.87 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.152 0.501 . . . . 0.0 110.978 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -121.02 7.47 10.34 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.394 -174.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.6 m -79.68 129.87 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.888 0.375 . . . . 0.0 110.772 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' O ' ' HB ' ' A' ' 80' ' ' THR . 38.3 ptt180 -160.29 149.31 13.84 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.877 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.11 159.5 30.21 Favored 'Trans proline' 0 N--CA 1.464 -0.209 0 C-N-CA 122.338 2.025 . . . . 0.0 112.954 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.6 p -114.79 139.51 49.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.85 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.463 ' HE ' ' HB2' ' A' ' 71' ' ' ARG . 5.5 ttm180 -79.27 -38.15 36.12 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.836 0.351 . . . . 0.0 111.003 -172.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -65.93 -27.45 68.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.901 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -92.25 -23.38 19.34 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.627 -178.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 68.19 122.85 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 O-C-N 124.06 0.85 . . . . 0.0 111.434 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 78' ' ' TRP . 0.0 OUTLIER -62.47 -25.83 68.2 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.235 -177.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.18 -17.55 64.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.769 0.319 . . . . 0.0 111.461 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -116.45 -49.01 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.568 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 49' ' ' SER . 85.4 m95 -123.31 149.83 44.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.307 0.575 . . . . 0.0 112.079 -175.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 49' ' ' SER . 51.4 m -124.82 132.36 53.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 172.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' ' 68' ' ' ARG . 22.3 m -100.83 120.52 40.24 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.344 0.593 . . . . 0.0 111.917 -170.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.9 t -113.92 120.67 64.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.431 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -86.85 154.39 20.91 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.037 0.446 . . . . 0.0 110.746 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.496 HD23 HD12 ' A' ' 87' ' ' LEU . 88.7 mt -98.84 24.28 7.84 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 172.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -77.48 -33.22 54.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.117 -173.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.86 19.57 3.3 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-N 116.042 -0.526 . . . . 0.0 113.234 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 m 58.32 75.23 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.158 0.504 . . . . 0.0 110.941 178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.496 HD12 HD23 ' A' ' 83' ' ' LEU . 95.4 mt -93.37 128.11 43.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.25 -177.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -69.14 162.64 40.95 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.685 2.257 . . . . 0.0 111.926 177.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.577 ' HB3' ' HB2' ' A' ' 1' ' ' MET . 5.7 p-10 -60.2 -36.39 77.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.24 -178.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -53.3 -40.82 65.05 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 123.374 0.421 . . . . 0.0 111.609 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -44.94 57.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.32 0.581 . . . . 0.0 109.885 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.95 -32.62 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.617 -175.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -54.71 -46.03 74.12 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.799 -0.182 . . . . 0.0 111.356 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -62.08 -44.42 96.71 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.586 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.4 mt -56.6 -41.72 77.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 -176.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 67.6 t -77.52 -44.84 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.51 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -72.04 -36.0 69.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.895 0.379 . . . . 0.0 111.415 -173.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 102' ' ' GLN . . . -67.49 -41.02 85.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.258 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.601 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 9.7 p -70.64 -38.77 73.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.629 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -58.14 -43.21 87.21 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.266 173.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -57.51 -49.02 77.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.421 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.548 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 78.1 mt-30 -53.68 -55.02 29.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.151 -0.932 . . . . 0.0 110.849 178.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.438 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -54.59 -48.39 72.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.088 -175.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.04 -41.24 92.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.118 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -74.13 -24.89 59.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.409 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 102' ' ' GLN . 93.8 mt -74.77 -21.68 59.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.33 . . . . 0.0 110.786 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.82 HD11 HG11 ' A' ' 31' ' ' VAL . 97.0 mt -78.85 147.03 69.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.9 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.19 156.03 52.93 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.849 2.366 . . . . 0.0 112.199 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.55 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 3.9 mm-40 -48.84 -44.32 39.4 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.579 -177.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -49.04 -52.79 23.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.26 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -37.1 57.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.478 178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 116' ' ' VAL . 0.5 OUTLIER -61.74 -36.87 82.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.029 -174.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 75.3 mmtt -63.81 -47.99 78.67 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.007 0.432 . . . . 0.0 110.647 177.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.62 -42.53 97.03 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.07 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.88 -37.7 80.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.209 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 112' ' ' ARG . 91.2 t -71.86 -30.28 36.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.998 0.428 . . . . 0.0 111.066 -178.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 26.5 mm-40 -69.62 -27.94 65.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.869 -177.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.638 -0.696 . . . . 0.0 110.797 -178.5 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.778 0.323 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.24 165.33 11.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.06 175.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.531 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 47.0 mm -58.83 -37.42 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.358 -178.149 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -60.99 -45.43 94.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.573 0.225 . . . . 0.0 111.206 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.65 -37.18 82.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.757 0.313 . . . . 0.0 110.158 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.645 HD11 HG21 ' A' ' 96' ' ' VAL . 49.8 tp -60.94 -49.52 77.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 176.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 81.1 mt -59.75 -37.52 79.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.782 178.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -69.84 -39.12 76.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.495 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -65.66 -32.73 74.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 177.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 76.1 m -66.9 -15.34 63.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.173 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.406 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 2.8 mmt -83.15 -0.63 50.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.153 0.501 . . . . 0.0 110.168 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.16 9.36 39.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.445 0.64 . . . . 0.0 109.896 174.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -111.64 100.23 47.45 Favored Pre-proline 0 N--CA 1.451 -0.392 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.124 175.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.01 117.36 4.1 Favored 'Trans proline' 0 CA--C 1.527 0.153 0 C-N-CA 122.586 2.191 . . . . 0.0 112.739 -175.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.2 -24.47 14.2 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.301 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.37 132.03 35.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.72 0.295 . . . . 0.0 110.679 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -131.63 151.73 51.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.945 176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.568 ' HG2' HG12 ' A' ' 29' ' ' ILE . 47.6 mt-30 -107.86 145.45 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.564 -174.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.2 p -153.41 126.9 8.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.666 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.9 p -80.5 126.94 39.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 175.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -104.48 138.0 41.51 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.702 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -78.91 87.38 4.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.486 -174.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -135.28 -71.7 0.47 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.61 172.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -152.87 67.42 0.81 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.491 0.662 . . . . 0.0 110.0 170.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.6 tttt 57.46 74.05 0.44 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.297 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.668 ' HB2' ' HD3' ' A' ' 40' ' ' LYS . . . -130.62 113.35 14.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.106 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.564 ' HB ' ' CG1' ' A' ' 39' ' ' VAL . 31.8 m -94.4 117.31 29.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' HB3' HD11 ' A' ' 35' ' ' LEU . 72.0 mt-30 -102.52 134.48 45.79 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.446 -177.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.568 HG12 ' HG2' ' A' ' 18' ' ' GLN . 37.0 mt -110.08 118.77 57.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.343 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.3 pttt -135.8 169.34 17.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.309 -177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG11 HD11 ' A' ' 107' ' ' LEU . 2.1 t -94.23 -137.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 170.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.736 ' HG3' ' HE2' ' A' ' 111' ' ' LYS . 5.8 mm-40 -65.11 -56.87 10.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.059 0.457 . . . . 0.0 110.766 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -126.21 -11.49 6.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.218 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 43.1 t -96.57 110.58 25.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.764 -172.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 28' ' ' GLN . 60.6 tp -88.21 130.83 34.96 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 172.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -132.7 -18.97 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -176.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.11 140.68 32.56 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.517 ' SD ' ' HE2' ' A' ' 40' ' ' LYS . 15.5 ttm -138.7 115.69 10.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.562 174.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.564 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 7.3 p -90.53 125.11 43.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.668 ' HD3' ' HB2' ' A' ' 26' ' ' ALA . 2.4 tppt? -145.09 129.02 17.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.907 -173.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' ' 46' ' ' PRO . 47.1 mt-10 -90.06 110.92 21.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.28 0.562 . . . . 0.0 111.013 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.453 HG13 ' HE2' ' A' ' 82' ' ' TYR . 4.0 p -121.6 139.74 47.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 173.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 66.28 17.0 10.62 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.673 0.749 . . . . 0.0 108.985 -169.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 60.65 25.59 15.33 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 114.567 -1.197 . . . . 0.0 112.492 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -114.53 136.47 22.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 169.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.512 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 17.6 Cg_endo -58.25 123.6 14.0 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.785 2.324 . . . . 0.0 111.709 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.591 ' HB1' HG22 ' A' ' 80' ' ' THR . . . -144.56 144.29 31.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.639 -176.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.83 129.25 74.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.122 0.487 . . . . 0.0 110.913 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 80' ' ' THR . 14.9 m -94.82 128.36 41.51 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.862 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 mp -98.48 157.65 16.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.387 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -62.87 -54.52 37.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.667 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 53' ' ' SER . 4.6 t -172.38 -64.87 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.667 176.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.988 ' HB2' ' HB2' ' A' ' 56' ' ' LEU . 8.9 m 66.88 132.71 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.559 0 CA-C-O 121.412 0.625 . . . . 0.0 112.003 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.44 -57.85 0.42 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.536 2.157 . . . . 0.0 112.837 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.04 -31.66 72.34 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.728 0.299 . . . . 0.0 110.941 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.988 ' HB2' ' HB2' ' A' ' 53' ' ' SER . 4.4 mm? -67.67 -38.35 83.63 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.843 179.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.513 ' O ' ' HD3' ' A' ' 61' ' ' ARG . . . -57.08 -43.68 82.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.87 0.367 . . . . 0.0 110.381 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -62.0 -51.18 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.15 175.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.4 tt -52.61 -47.71 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.144 178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 75.2 mt -63.97 -32.52 74.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 2.1 mpt_? -76.84 -27.45 55.12 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.272 178.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -82.15 -45.6 14.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.626 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.92 -155.41 0.35 Allowed 'General case' 0 C--O 1.238 0.494 0 O-C-N 123.27 0.356 . . . . 0.0 111.236 177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 75.35 -68.17 0.22 Allowed 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.421 0.688 . . . . 0.0 111.965 172.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.5 m -92.17 -36.65 13.17 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.75 0.309 . . . . 0.0 110.955 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -120.21 121.45 38.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.727 -178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.524 ' H ' HD21 ' A' ' 87' ' ' LEU . 93.0 t 71.88 141.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.815 0.817 . . . . 0.0 112.654 174.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -124.9 154.68 70.98 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.374 174.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -39.53 110.87 0.11 Allowed 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 123.912 3.075 . . . . 0.0 114.075 -175.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.652 ' HB3' ' HE1' ' A' ' 82' ' ' TYR . 36.4 p -88.55 106.0 18.01 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.588 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -95.06 49.84 1.24 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.398 0.618 . . . . 0.0 110.034 -175.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.491 ' HE1' ' HB3' ' A' ' 78' ' ' TRP . 6.7 p80 -95.11 -49.09 5.67 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.652 -175.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.6 mt -147.28 -154.03 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -173.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -54.23 105.8 0.17 Allowed 'General case' 0 N--CA 1.462 0.155 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -71.99 -27.26 62.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.205 -173.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -89.25 21.07 3.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.199 178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -145.7 -53.31 0.27 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.877 0.37 . . . . 0.0 110.602 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.491 ' HB3' ' HE1' ' A' ' 72' ' ' HIS . 89.6 m95 -108.23 128.7 54.95 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.1 m -125.16 140.67 52.66 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.591 HG22 ' HB1' ' A' ' 47' ' ' ALA . 24.2 m -121.27 132.45 54.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.547 -172.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 68.6 t -90.46 113.02 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.512 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.652 ' HE1' ' HB3' ' A' ' 70' ' ' SER . 32.8 m-85 -87.65 129.25 35.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.543 -176.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 79.1 mt -84.9 50.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.056 -1.091 . . . . 0.0 108.056 169.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -62.48 -81.37 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.013 -1.449 . . . . 0.0 111.132 -172.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -156.55 21.87 0.48 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 87' ' ' LEU . 16.2 m -146.64 -171.07 3.67 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.524 HD21 ' H ' ' A' ' 67' ' ' VAL . 95.6 mt 74.57 145.02 0.11 Allowed Pre-proline 0 CA--C 1.532 0.272 0 O-C-N 124.013 0.821 . . . . 0.0 111.375 178.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 3.0 Cg_exo -75.96 141.64 24.18 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.928 2.418 . . . . 0.0 112.471 -177.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.45 -38.2 89.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.422 0.629 . . . . 0.0 110.031 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 93' ' ' TYR . 12.8 m -60.88 -28.22 68.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.022 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.602 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 5.2 tp60 -63.92 -35.36 80.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.246 -178.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 55.4 mt -60.37 -40.19 83.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.443 -175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 99.8 m-85 -56.29 -45.41 80.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.905 -179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -68.61 -42.69 77.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.637 HD22 HD11 ' A' ' 56' ' ' LEU . 71.4 mt -59.14 -46.69 87.71 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.396 -175.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.645 HG21 HD11 ' A' ' 6' ' ' LEU . 59.7 t -68.68 -44.54 82.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 101' ' ' GLN . 36.8 t70 -66.24 -42.35 88.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.354 -176.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.01 -32.14 72.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.873 0.368 . . . . 0.0 111.216 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.454 ' HA ' ' NE2' ' A' ' 102' ' ' GLN . 41.7 m -69.61 -34.53 74.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 110.239 177.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.407 ' O ' HG23 ' A' ' 104' ' ' VAL . 55.3 t80 -73.04 -37.95 66.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.707 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 97' ' ' ASP . 31.6 mm-40 -56.86 -44.04 81.79 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 111.046 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 99' ' ' SER . 42.8 mt-30 -56.08 -40.9 74.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.169 178.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.569 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.93 -41.12 95.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 100' ' ' TYR . 58.0 t -62.75 -32.41 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.0 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -76.76 -21.17 55.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.6 mt -88.83 -33.1 17.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.003 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 96.4 mt -63.75 135.23 96.19 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.357 -178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.545 ' HG2' ' HG2' ' A' ' 111' ' ' LYS . 38.1 Cg_endo -69.81 -173.59 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.921 2.414 . . . . 0.0 113.302 178.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -53.42 -54.18 40.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.94 -1.027 . . . . 0.0 111.32 -179.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -53.22 -53.11 55.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.823 -174.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.736 ' HE2' ' HG3' ' A' ' 32' ' ' GLU . 26.4 mmmt -65.14 -52.19 56.71 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.021 -171.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 116' ' ' VAL . 33.2 mtp85 -53.22 -49.81 66.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.896 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -57.25 -44.2 83.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.672 0.272 . . . . 0.0 111.613 -178.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 93.8 mt -69.03 -47.97 64.11 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.738 -177.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 75.3 mt -67.75 -27.57 66.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.165 -173.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 112' ' ' ARG . 78.3 t -77.02 -30.46 17.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.042 0.448 . . . . 0.0 110.885 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -70.57 -28.54 64.96 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.472 -178.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.835 -174.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.38 148.09 45.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.252 0.345 . . . . 0.0 110.919 179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.452 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 39.5 mm -62.22 -34.48 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 -175.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.4 p -59.85 -51.4 69.87 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -176.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.57 -34.99 79.55 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.879 0.371 . . . . 0.0 110.524 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.28 -45.77 83.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.946 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 72.4 mt -61.55 -36.44 80.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.087 178.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -64.57 -43.85 92.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.26 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -60.77 -32.56 71.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.364 -179.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 64.6 m -59.68 -46.87 87.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.298 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 89.8 mtp -85.43 0.63 51.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.76 0.314 . . . . 0.0 111.716 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.57 -20.99 61.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.188 0.518 . . . . 0.0 109.693 175.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -87.03 122.22 71.24 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.639 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.13 127.49 25.29 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 123.1 2.533 . . . . 0.0 112.841 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 31' ' ' VAL . . . 108.04 -27.89 13.35 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.717 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 123.73 24.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.255 0.55 . . . . 0.0 111.956 -175.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -123.6 129.17 50.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.956 176.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HG2' HG12 ' A' ' 29' ' ' ILE . 43.6 mt-30 -103.89 138.31 40.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.634 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.5 m -141.96 111.51 6.58 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.48 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.637 ' HA ' ' HA ' ' A' ' 27' ' ' THR . 2.9 p -75.67 116.52 18.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.349 0.595 . . . . 0.0 110.254 176.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.66 120.42 24.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.695 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -74.54 96.06 2.88 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.806 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -159.15 -67.17 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.868 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.1 p-90 -144.61 34.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.017 0.437 . . . . 0.0 110.776 177.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 91.0 mttt 65.27 77.65 0.3 Allowed 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.069 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -133.94 105.75 6.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.115 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.637 ' HA ' ' HA ' ' A' ' 20' ' ' VAL . 26.0 m -92.43 117.22 29.7 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.927 0.394 . . . . 0.0 110.148 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.485 ' HB3' HD13 ' A' ' 35' ' ' LEU . 50.2 mt-30 -99.81 123.92 44.56 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.247 -177.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.527 HG12 ' HG2' ' A' ' 18' ' ' GLN . 14.3 mt -104.07 117.2 49.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.04 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -129.17 149.09 51.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.152 -177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.557 ' HB ' HD22 ' A' ' 115' ' ' LEU . 20.1 m -93.95 11.44 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.372 0.606 . . . . 0.0 110.727 177.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 174.8 -82.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 -175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -142.69 16.02 1.97 Allowed 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 166.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.06 103.79 15.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 114.398 -1.273 . . . . 0.0 109.735 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.485 HD13 ' HB3' ' A' ' 28' ' ' GLN . 55.9 tp -81.61 110.5 17.03 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.58 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -95.15 -39.85 9.9 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.026 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.24 160.91 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.469 0.176 . . . . 0.0 110.67 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.458 ' CE ' HD21 ' A' ' 35' ' ' LEU . 17.4 ptp -148.38 150.61 33.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.435 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 7.6 p -110.7 133.96 54.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.159 0.504 . . . . 0.0 109.655 173.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.678 ' HE2' HD11 ' A' ' 73' ' ' LEU . 9.3 mtmp? -136.0 142.46 44.5 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.913 -177.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -99.03 111.29 23.73 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.89 144.79 27.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 65.05 21.4 12.25 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -173.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 65.4 20.6 11.8 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.404 -175.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 76.5 mtt-85 -118.91 129.76 25.21 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.374 178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.43 107.74 1.67 Allowed 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.208 1.939 . . . . 0.0 110.928 172.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -124.45 152.25 43.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.996 -175.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.1 p -115.99 141.34 33.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.365 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' A' ' 79' ' ' SER . 67.2 m -115.45 124.71 51.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.925 0.393 . . . . 0.0 110.806 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.9 mp -112.82 172.76 6.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.331 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.8 mttp -89.06 -176.7 5.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.781 178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 t -77.99 77.59 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.775 0.798 . . . . 0.0 110.897 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.768 ' HB2' HD23 ' A' ' 56' ' ' LEU . 15.6 m -89.5 152.73 47.67 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.634 177.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -45.3 -56.69 2.57 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.277 2.651 . . . . 0.0 113.645 -177.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -68.83 -32.71 72.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.697 0.284 . . . . 0.0 111.146 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.768 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -70.27 -38.26 75.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.786 0.327 . . . . 0.0 110.574 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.48 87.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.343 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -68.46 -47.13 67.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.28 175.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.6 tt -53.54 -42.04 67.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.731 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 57.6 tp -55.27 -36.97 66.68 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 120.848 0.356 . . . . 0.0 111.614 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -77.32 -49.09 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.492 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -78.23 -40.41 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -172.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -120.23 93.2 3.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.067 0.46 . . . . 0.0 109.903 -179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.1 t-160 -117.14 2.72 12.65 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.286 0.565 . . . . 0.0 110.255 -173.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.7 m -84.85 33.3 0.53 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.922 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -166.0 -59.84 0.03 OUTLIER 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 111.06 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.563 HG12 HG22 ' A' ' 81' ' ' VAL . 17.6 m -58.26 120.36 4.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.82 -176.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' O ' ' HB ' ' A' ' 80' ' ' THR . 73.3 mtm180 -132.27 103.41 13.92 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.298 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -57.85 -40.12 81.22 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.251 2.634 . . . . 0.0 112.695 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.3 t 72.58 147.05 0.08 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.796 -176.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -75.9 -5.52 46.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.175 0.512 . . . . 0.0 110.446 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.43 -31.21 63.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.252 178.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.678 HD11 ' HE2' ' A' ' 40' ' ' LYS . 87.4 mt -108.76 -25.17 10.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.874 -178.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 62.8 t30 75.67 139.72 0.07 Allowed 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 123.991 0.917 . . . . 0.0 110.745 -177.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -53.43 -57.73 9.63 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -169.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.91 23.71 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -174.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 67.6 m170 -118.82 -58.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 73' ' ' LEU . 91.6 m95 -135.68 148.06 48.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.5 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.506 ' O ' ' HA ' ' A' ' 49' ' ' SER . 35.6 t -125.67 131.89 52.53 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.484 ' HB ' ' O ' ' A' ' 68' ' ' ARG . 29.5 m -106.74 116.25 31.6 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.544 -171.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.563 HG22 HG12 ' A' ' 67' ' ' VAL . 43.2 t -95.72 126.34 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.743 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.447 ' HE1' ' HB2' ' A' ' 68' ' ' ARG . 68.2 m-85 -95.87 124.0 39.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.052 0.453 . . . . 0.0 110.52 -178.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.2 57.96 2.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.698 0.761 . . . . 0.0 110.777 179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -89.49 -23.58 22.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.121 178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 129.12 -0.58 6.09 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.602 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -67.61 -40.16 84.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.47 . . . . 0.0 110.739 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.74 145.85 30.44 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.887 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -68.91 163.17 38.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.7 2.267 . . . . 0.0 112.609 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.43 -38.09 88.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.348 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -60.93 -27.76 68.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.395 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.569 ' O ' ' HG ' ' A' ' 95' ' ' LEU . 51.4 tp60 -62.83 -32.91 74.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.621 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.39 -41.19 88.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.29 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -59.92 -44.19 94.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.855 0.359 . . . . 0.0 110.971 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -62.29 -42.92 99.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.214 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 88.2 mt -55.63 -42.12 74.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.607 -176.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t -77.53 -46.21 27.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.673 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -69.37 -37.93 77.82 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.767 0.318 . . . . 0.0 111.087 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.55 -34.79 72.62 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -177.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.9 p -73.09 -38.42 66.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.609 0.242 . . . . 0.0 110.877 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.471 ' O ' HG23 ' A' ' 104' ' ' VAL . 85.8 t80 -66.27 -45.23 81.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.974 0.416 . . . . 0.0 110.1 175.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -54.6 45.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.857 -177.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -60.33 -35.44 75.63 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.704 -175.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.423 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -64.0 -41.08 97.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 100' ' ' TYR . 59.0 t -64.5 -30.5 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 -179.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -75.03 -23.7 58.2 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.9 mt -91.64 -16.4 27.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.499 -175.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.451 HD12 HD11 ' A' ' 115' ' ' LEU . 90.9 mt -88.03 144.39 34.52 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.304 -176.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.59 168.14 20.72 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.891 2.394 . . . . 0.0 112.323 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.532 ' OE1' ' HE3' ' A' ' 113' ' ' LYS . 7.0 tp10 -54.12 -44.33 71.23 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.497 -176.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -48.62 -50.47 32.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.308 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.611 ' HE3' ' HA ' ' A' ' 111' ' ' LYS . 0.1 OUTLIER -75.8 -41.79 51.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.006 0.431 . . . . 0.0 110.622 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.443 HH21 ' CD ' ' A' ' 109' ' ' GLU . 50.7 ttp180 -56.44 -39.37 73.02 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.737 -178.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.712 ' HE2' ' HA ' ' A' ' 113' ' ' LYS . 9.8 mmpt? -63.44 -48.06 79.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 120.967 0.413 . . . . 0.0 110.384 176.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 118' ' ' LEU . 38.4 mt -63.9 -38.23 90.33 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.928 -176.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 111' ' ' LYS . 77.4 mt -57.18 -37.59 72.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.061 0.457 . . . . 0.0 111.05 178.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 28.4 t -76.27 -28.34 18.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.444 178.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 113' ' ' LYS . 31.5 mm-40 -75.1 -28.98 60.47 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.681 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 114' ' ' LEU . 93.7 mt . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.54 -0.743 . . . . 0.0 111.127 -175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 120.931 0.396 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 35.5 p -85.75 171.38 11.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.678 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.507 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 49.2 mm -60.9 -42.25 91.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.007 -178.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.7 t -61.01 -36.87 80.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.874 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.15 -42.93 75.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.477 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD11 HG21 ' A' ' 96' ' ' VAL . 43.6 tp -62.79 -45.78 91.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.497 179.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 81.9 mt -59.91 -36.69 77.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.888 178.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 8' ' ' GLN . 6.9 tp60 -67.26 -40.25 86.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.808 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -63.46 -33.43 75.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 110.305 178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.97 -31.61 71.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.325 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 4.0 mmt -70.06 -27.17 64.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.13 -10.52 59.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.858 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -96.69 116.44 66.1 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.968 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -64.83 117.19 4.3 Favored 'Trans proline' 0 CA--C 1.527 0.171 0 C-N-CA 122.725 2.284 . . . . 0.0 112.932 -176.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.08 39.24 2.17 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.574 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -132.63 118.06 18.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.865 0.365 . . . . 0.0 110.985 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -113.09 140.71 47.64 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -114.41 120.61 40.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.15 -179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -126.11 108.9 11.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -178.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.05 121.06 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.327 0.584 . . . . 0.0 110.819 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.59 141.24 37.4 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.652 174.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -87.55 58.17 4.79 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -169.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -112.5 -51.06 2.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.646 171.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 56.7 m95 -111.39 4.12 18.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.491 172.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.2 tttt 63.11 28.38 16.03 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 122.388 1.09 . . . . 0.0 108.595 -169.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.7 119.42 22.61 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.348 -1.296 . . . . 0.0 111.357 -175.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.428 ' HB ' ' CG1' ' A' ' 39' ' ' VAL . 28.3 m -85.33 116.4 23.64 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 171.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -103.63 124.49 48.93 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.309 -172.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.1 mt -102.65 121.59 53.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.205 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.584 ' HB3' HD23 ' A' ' 35' ' ' LEU . 22.6 pttp -154.0 170.34 21.33 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.377 -173.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.486 HG23 ' HB ' ' A' ' 34' ' ' VAL . 2.0 t -78.94 -137.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 168.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -53.19 -57.0 11.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.475 0.58 . . . . 0.0 109.741 172.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -152.0 26.42 0.63 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.658 0.742 . . . . 0.0 109.864 175.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.486 ' HB ' HG23 ' A' ' 31' ' ' VAL . 57.3 t -98.29 110.99 26.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.006 178.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 30' ' ' LYS . 64.5 mt -86.32 128.0 34.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.277 0.56 . . . . 0.0 112.295 -175.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.511 ' HD2' ' HB2' ' A' ' 99' ' ' SER . 51.3 p90 -134.11 -10.13 2.61 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.354 174.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.11 158.23 16.5 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -175.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.691 ' HG3' ' HB2' ' A' ' 49' ' ' SER . 10.2 ptp -154.06 147.6 25.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.692 174.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.428 ' CG1' ' HB ' ' A' ' 27' ' ' THR . 11.4 p -127.36 137.73 56.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.923 0.392 . . . . 0.0 110.423 177.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -138.6 171.66 14.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.649 -178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -123.77 135.77 54.01 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 169.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 43' ' ' GLU . 3.7 p -139.07 128.4 30.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.544 ' HG3' HG22 ' A' ' 42' ' ' VAL . 40.3 mt-10 63.05 30.17 16.26 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.737 -175.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 64.5 t30 63.59 20.77 12.41 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.85 0.833 . . . . 0.0 110.213 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 45' ' ' ARG . 15.3 mtp180 -119.53 123.46 28.63 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.383 175.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HG2' ' HB2' ' A' ' 83' ' ' LEU . 30.7 Cg_endo -63.99 141.5 77.47 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.75 2.3 . . . . 0.0 112.677 -176.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.12 137.96 36.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.102 178.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.9 p -115.2 147.17 18.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.691 ' HB2' ' HG3' ' A' ' 38' ' ' MET . 17.0 m -139.97 117.92 11.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.976 0.417 . . . . 0.0 110.984 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 95' ' ' LEU . 7.0 mp -98.92 167.03 11.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.71 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' ' 52' ' ' THR . 49.1 tttm -68.42 169.96 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.427 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 2.7 p -71.48 76.53 0.78 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.301 0.572 . . . . 0.0 110.853 177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.6 ' HB2' HD23 ' A' ' 56' ' ' LEU . 33.3 m -82.86 147.01 53.72 Favored Pre-proline 0 N--CA 1.449 -0.506 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.017 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.14 -53.93 4.72 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.84 2.36 . . . . 0.0 111.963 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -61.89 -33.25 73.87 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.49 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.6 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.6 mm? -68.33 -44.99 74.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.881 179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.7 91.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.145 0.498 . . . . 0.0 110.404 177.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.76 -41.07 90.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.178 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.56 -51.43 59.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.634 178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.34 -30.48 70.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.751 0.31 . . . . 0.0 111.562 -177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.89 ' HA ' ' HE ' ' A' ' 61' ' ' ARG . 0.5 OUTLIER -73.1 -35.87 66.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.136 -179.343 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -85.62 -49.64 7.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.782 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -100.45 116.52 32.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.265 178.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -60.82 -34.36 74.42 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.3 m 63.61 -173.11 0.16 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.829 171.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -130.76 83.99 2.16 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.9 p -149.21 146.57 17.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.854 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.492 ' HD2' ' N ' ' A' ' 68' ' ' ARG . 3.3 mpt_? -115.29 103.3 54.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.708 0.289 . . . . 0.0 111.199 -179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.71 -179.37 5.08 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.857 2.372 . . . . 0.0 111.065 172.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 43.0 m 66.28 98.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.421 0.629 . . . . 0.0 111.063 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -144.12 -157.39 0.78 Allowed 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -178.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.6 t-80 -63.44 -38.44 91.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.996 0.427 . . . . 0.0 110.421 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.2 mt -81.15 145.79 30.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.412 ' ND2' ' H ' ' A' ' 76' ' ' ALA . 11.6 t30 -84.96 136.47 33.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.886 0.374 . . . . 0.0 110.662 -176.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.25 -29.89 66.13 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.734 -173.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.412 ' H ' ' ND2' ' A' ' 74' ' ' ASN . . . -76.23 17.27 0.37 Allowed 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -129.52 -61.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.935 0.398 . . . . 0.0 110.467 175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.405 ' HH2' ' HB3' ' A' ' 35' ' ' LEU . 79.0 m95 -136.52 163.97 29.27 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.64 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.5 m -125.84 126.72 44.95 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 173.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 61.0 m -102.28 114.56 28.84 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.342 -172.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.5 t -102.83 116.2 46.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.603 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -75.43 128.96 36.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.804 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.551 ' HB2' ' HG2' ' A' ' 46' ' ' PRO . 80.2 mt -79.21 63.21 3.8 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 172.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -137.52 -42.24 0.55 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.838 -171.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.21 62.49 4.12 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.435 176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.1 t 73.34 -90.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.538 0.735 . . . . 0.0 110.68 -176.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 48.91 80.69 0.28 Allowed Pre-proline 0 N--CA 1.464 0.255 0 C-N-CA 122.853 0.461 . . . . 0.0 112.182 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.614 ' HG2' ' HG2' ' A' ' 91' ' ' GLN . 18.7 Cg_endo -60.24 142.29 97.88 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.349 2.033 . . . . 0.0 111.815 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -64.9 -19.29 65.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.423 -175.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.4 m -62.8 -31.12 72.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 176.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.614 ' HG2' ' HG2' ' A' ' 88' ' ' PRO . 15.1 mm100 -72.3 -46.31 56.28 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 121.096 0.474 . . . . 0.0 109.8 177.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 51.6 mt -59.03 -39.7 78.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.775 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -54.53 -42.02 70.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.901 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -77.6 -35.74 52.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.963 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 91.1 mt -58.95 -42.4 89.72 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.252 -178.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.441 HG21 HD11 ' A' ' 6' ' ' LEU . 86.3 t -63.18 -43.22 98.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.13 0.49 . . . . 0.0 110.841 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -69.63 -39.62 77.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.992 0.425 . . . . 0.0 110.741 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.27 -45.27 88.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.617 179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.511 ' HB2' ' HD2' ' A' ' 36' ' ' PHE . 13.3 p -69.32 -34.54 74.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.642 -178.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -68.09 -41.52 81.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.67 0.272 . . . . 0.0 111.169 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -53.66 55.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.581 -178.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -59.99 -33.23 71.69 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.433 -177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.486 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -63.78 -42.09 97.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.748 179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.46 -36.5 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.728 178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -68.32 -27.51 66.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.738 -179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 98.1 mt -86.68 -8.73 57.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.181 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 103' ' ' ALA . 95.5 mt -85.79 137.39 35.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.812 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 107' ' ' LEU . 26.0 Cg_exo -63.84 158.75 45.24 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.8 2.333 . . . . 0.0 111.848 176.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 6.0 tp10 -50.54 -46.66 57.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.684 -176.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -48.62 -50.74 31.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.532 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.97 -44.07 90.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.854 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 109' ' ' GLU . 20.0 mtm180 -60.37 -40.26 90.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.473 -178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 11.3 mmpt? -59.96 -46.62 88.84 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.918 0.39 . . . . 0.0 110.338 178.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.71 -46.35 87.52 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.493 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.32 -29.98 70.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.903 -177.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 112' ' ' ARG . 99.1 t -79.1 -36.62 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 111.059 -178.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.88 -28.86 67.08 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 99.5 mt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.751 -0.643 . . . . 0.0 110.391 -179.419 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HG3' ' HB2' ' A' ' 5' ' ' GLU . 48.3 ttp . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.5 p -75.58 165.97 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.631 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.455 ' O ' ' HG ' ' A' ' 7' ' ' LEU . 50.2 mm -59.66 -35.06 57.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.763 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.3 t -60.41 -40.37 90.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.161 0.505 . . . . 0.0 110.384 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 31.8 mt-10 -69.91 -39.04 76.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 96' ' ' VAL . 2.9 tm? -63.54 -45.27 91.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.022 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 3' ' ' ILE . 84.3 mt -59.83 -40.21 87.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.555 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -63.15 -42.09 99.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.596 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -61.86 -36.21 80.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.57 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.1 m -73.3 -17.37 61.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.178 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.417 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 1.5 mmt -79.92 -10.7 59.8 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.064 0.459 . . . . 0.0 110.542 178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.522 ' O ' ' HD3' ' A' ' 14' ' ' PRO . . . -87.11 0.85 54.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.307 176.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -103.04 96.79 8.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.417 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 12' ' ' ALA . 15.7 Cg_exo -68.28 100.05 0.63 Allowed 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.7 2.266 . . . . 0.0 111.838 -178.315 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.56 -20.05 2.4 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.355 -176.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.61 119.03 31.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.723 0.297 . . . . 0.0 110.649 178.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -106.01 132.37 52.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.945 0.402 . . . . 0.0 110.182 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.539 ' HG2' HG12 ' A' ' 29' ' ' ILE . 71.6 mt-30 -109.86 122.19 46.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.582 -177.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -128.17 150.42 50.01 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.341 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.6 p -89.66 123.76 42.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.262 0.554 . . . . 0.0 110.508 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.415 ' ND1' ' HB3' ' A' ' 23' ' ' ASP . 11.7 t-80 -87.06 113.42 22.8 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -76.64 55.25 1.03 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.056 0.931 . . . . 0.0 110.769 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 27.6 t70 -155.76 101.74 2.16 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 176.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.548 ' HB2' ' O ' ' A' ' 23' ' ' ASP . 18.8 m95 78.89 -5.24 2.04 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 124.396 1.06 . . . . 0.0 110.433 -170.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt 51.74 78.62 0.12 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.69 0.757 . . . . 0.0 110.269 -175.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' ' 40' ' ' LYS . . . -127.06 148.0 50.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.517 -177.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.469 ' HB ' ' CG2' ' A' ' 39' ' ' VAL . 23.9 m -93.1 118.44 31.21 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.0 0.429 . . . . 0.0 110.431 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -95.27 114.63 26.44 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.759 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.539 HG12 ' HG2' ' A' ' 18' ' ' GLN . 45.4 mt -102.69 108.33 23.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' NZ ' ' HA ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -136.06 150.52 49.2 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -177.22 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG11 HD11 ' A' ' 107' ' ' LEU . 1.9 t -79.69 -134.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' HG3' ' CG ' ' A' ' 111' ' ' LYS . 20.1 mm-40 -52.43 -67.33 0.26 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.168 0.509 . . . . 0.0 110.49 174.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.558 ' HA ' ' NZ ' ' A' ' 30' ' ' LYS . 24.0 t0 -147.65 36.13 0.87 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.764 0.793 . . . . 0.0 110.279 176.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.9 t -116.87 99.16 7.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.624 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 58.8 tp -84.34 97.86 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 177.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -96.47 -24.89 15.88 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.851 -175.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -144.77 123.39 12.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.248 0.547 . . . . 0.0 111.878 -176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.6 ttt -125.82 114.68 18.89 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.46 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.469 ' CG2' ' HB ' ' A' ' 27' ' ' THR . 27.4 m -97.09 142.5 14.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.598 -177.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . 0.0 OUTLIER -153.16 104.16 2.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.013 0.435 . . . . 0.0 110.816 -176.312 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG3' ' HA ' ' A' ' 46' ' ' PRO . 2.4 mp0 -92.13 117.62 30.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.473 0.654 . . . . 0.0 111.257 -177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 2.7 p -96.9 110.31 24.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.516 176.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 61.04 26.63 16.56 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 -177.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 66.6 t30 75.42 22.4 1.66 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.467 0.707 . . . . 0.0 110.698 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 42' ' ' VAL . 0.0 OUTLIER -85.56 107.56 12.9 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 167.072 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.751 ' HB2' ' HG ' ' A' ' 83' ' ' LEU . 24.6 Cg_exo -62.81 124.73 14.59 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 123.036 2.49 . . . . 0.0 112.401 -174.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -144.93 121.04 10.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.321 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.4 p -114.77 125.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-O 121.282 0.563 . . . . 0.0 110.43 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 79' ' ' SER . 6.9 m -100.94 115.57 30.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.653 -178.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mp -98.68 155.77 17.16 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 176.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -80.47 36.57 0.37 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.686 -178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.5 m 67.49 106.01 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.408 -179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.834 ' HB2' HD23 ' A' ' 56' ' ' LEU . 14.7 m -126.61 147.49 60.85 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.195 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -50.09 -64.94 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.535 2.823 . . . . 0.0 113.923 -174.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -55.92 -30.09 61.1 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -173.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.834 HD23 ' HB2' ' A' ' 53' ' ' SER . 4.2 mm? -63.53 -37.24 86.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.732 0.301 . . . . 0.0 110.798 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.548 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -73.17 -42.46 62.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.554 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 1.6 mp0 -61.89 -43.24 99.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.582 176.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.6 -51.04 68.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.853 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.734 ' HB2' HG11 ' A' ' 67' ' ' VAL . 3.6 pp -67.25 -31.15 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.86 -176.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 57' ' ' ALA . 3.0 mpt_? -61.68 -38.29 87.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.068 177.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' ' 58' ' ' GLU . 29.4 mm-40 -89.73 -45.99 8.92 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 -175.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -66.52 -51.63 54.59 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -174.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 62.41 -159.71 0.31 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -173.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.3 t 70.12 -81.73 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 170.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 86' ' ' SER . 2.7 t70 -92.85 -8.32 43.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.664 0.268 . . . . 0.0 111.678 -167.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.734 HG11 ' HB2' ' A' ' 60' ' ' LEU . 41.4 t -82.07 129.75 36.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.241 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.497 HH22 ' HB3' ' A' ' 84' ' ' ASP . 1.0 OUTLIER -153.83 91.73 3.19 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.211 -172.78 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -64.89 104.18 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.753 2.302 . . . . 0.0 111.129 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.0 m -119.01 168.83 10.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.15 -171.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -71.33 82.93 0.77 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.909 0.861 . . . . 0.0 110.999 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.537 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 23.6 p80 -90.15 -29.03 18.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.9 175.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 72' ' ' HIS . 56.6 mt -165.78 -55.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -143.67 150.12 38.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.75 -1.114 . . . . 0.0 108.353 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -71.04 -61.34 1.8 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.148 0.28 . . . . 0.0 111.361 -177.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 77' ' ' HIS . . . -113.84 93.73 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -175.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' A' ' 76' ' ' ALA . 5.5 t-80 175.69 -48.41 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 172.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.494 ' HB2' ' HE1' ' A' ' 72' ' ' HIS . 96.7 m95 -112.64 145.06 41.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.096 -0.957 . . . . 0.0 108.764 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' SER . 33.6 t -125.01 132.97 53.16 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.4 m -122.89 119.92 31.92 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.647 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.457 ' O ' HD23 ' A' ' 83' ' ' LEU . 49.0 t -90.99 104.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.8 176.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -79.08 93.54 5.17 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 173.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.751 ' HG ' ' HB2' ' A' ' 46' ' ' PRO . 0.2 OUTLIER -79.08 82.75 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.658 0.742 . . . . 0.0 111.585 -174.632 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.497 ' HB3' HH22 ' A' ' 68' ' ' ARG . 11.3 t70 -89.52 -34.86 16.24 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.506 174.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -169.46 32.02 0.17 Allowed Glycine 0 N--CA 1.446 -0.642 0 CA-C-N 115.177 -0.919 . . . . 0.0 111.162 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.906 ' HB2' HD22 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -88.95 -64.55 1.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.626 -175.35 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.906 HD22 ' HB2' ' A' ' 86' ' ' SER . 2.3 mm? -111.97 138.65 21.76 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.618 -0.264 . . . . 0.0 110.856 -176.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 87' ' ' LEU . 5.7 Cg_exo -78.66 174.32 12.45 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.027 2.484 . . . . 0.0 112.394 175.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.64 -55.74 12.61 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.34 0.656 . . . . 0.0 111.863 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.408 ' HA ' ' HD2' ' A' ' 93' ' ' TYR . 11.9 m -58.7 -34.13 70.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.467 -174.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 87' ' ' LEU . 22.9 tp60 -70.08 -32.82 71.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.405 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 88' ' ' PRO . 56.8 mt -67.2 -42.45 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.885 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.408 ' HD2' ' HA ' ' A' ' 90' ' ' SER . 91.3 m-85 -57.57 -40.94 80.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 121.308 0.575 . . . . 0.0 110.061 177.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -65.05 -41.99 94.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.931 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 91' ' ' GLN . 92.6 mt -68.61 -44.3 74.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.481 -178.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.824 HG21 HD21 ' A' ' 6' ' ' LEU . 93.1 t -66.24 -41.79 89.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 111.06 -178.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -37.26 79.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.6 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.68 77.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.242 178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.448 ' HA ' HE21 ' A' ' 102' ' ' GLN . 6.5 p -64.97 -31.57 72.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.972 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.51 ' O ' HG23 ' A' ' 104' ' ' VAL . 83.5 t80 -73.63 -43.4 59.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.274 175.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.84 -45.0 93.77 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.897 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.448 HE21 ' HA ' ' A' ' 99' ' ' SER . 29.7 pt20 -61.42 -31.64 71.58 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.773 -179.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.446 ' O ' ' HG ' ' A' ' 107' ' ' LEU . . . -74.95 -28.83 60.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.812 0.339 . . . . 0.0 111.334 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.526 HG13 HD13 ' A' ' 115' ' ' LEU . 93.9 t -70.02 -42.0 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.794 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' A' ' 102' ' ' GLN . 10.9 p30 -73.97 -16.16 61.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 111.076 -177.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 93.0 mt -87.35 -5.97 58.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.98 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.507 HD11 HG11 ' A' ' 31' ' ' VAL . 92.6 mt -83.97 139.22 39.87 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 120.804 0.335 . . . . 0.0 111.146 -179.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.468 ' HD2' ' HD3' ' A' ' 111' ' ' LYS . 20.4 Cg_exo -66.58 -179.31 1.53 Allowed 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.186 2.591 . . . . 0.0 113.112 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.635 ' O ' ' HG2' ' A' ' 113' ' ' LYS . 12.5 tp10 -54.12 -57.65 10.32 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.773 -174.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -52.41 -47.76 66.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.364 0.602 . . . . 0.0 111.635 -176.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.53 ' CG ' ' HG3' ' A' ' 32' ' ' GLU . 3.9 mptp? -62.65 -43.52 98.59 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.709 -177.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.481 ' O ' HG23 ' A' ' 116' ' ' VAL . 40.5 mtt180 -62.98 -27.79 69.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.288 177.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.635 ' HG2' ' O ' ' A' ' 109' ' ' GLU . 7.5 mmpt? -61.34 -50.03 74.56 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.148 0.499 . . . . 0.0 110.024 178.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.46 -42.4 96.11 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.483 -178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.526 HD13 HG13 ' A' ' 104' ' ' VAL . 98.4 mt -62.03 -26.62 68.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.682 -179.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 112' ' ' ARG . 66.8 t -83.11 -36.87 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.895 0.378 . . . . 0.0 110.26 177.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -62.65 -44.21 96.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.256 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.1 mt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.366 -0.826 . . . . 0.0 111.014 -177.405 . . . . . . . . 0 0 . 1 stop_ save_